AB50218
153-91-3 | Alpha-methyl-dl-tryptophan
Manufacturer: A2B Chem
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CatalogNumber
AB50218
ChemicalName
Alpha-methyl-dl-tryptophan
CasNumber
153-91-3
MolecularFormula
C12H14N2O2
MolecularWeight
218.2518
MdlNumber
MFCD00150551
Smiles
OC(=O)C(Cc1c[nH]c2c1cccc2)(N)C
NscNumber
9948
Complexity
282
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-0.9
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CatalogNumber: AB50218
ChemicalName: Alpha-methyl-dl-tryptophan
CasNumber: 153-91-3
MolecularFormula: C12H14N2O2
MolecularWeight: 218.2518
MdlNumber: MFCD00150551
Smiles: OC(=O)C(Cc1c[nH]c2c1cccc2)(N)C
NscNumber: 9948
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.9
CatalogNumber:
AB50218
ChemicalName:
Alpha-methyl-dl-tryptophan
CasNumber:
153-91-3
MolecularFormula:
C12H14N2O2
MolecularWeight:
218.2518
MdlNumber:
MFCD00150551
Smiles:
OC(=O)C(Cc1c[nH]c2c1cccc2)(N)C
NscNumber:
9948
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.9
CatalogNumber: AB50219
ChemicalName: Methyl 2-Amino-4,6-dichloro-nicotinate
CasNumber: 1044872-40-3
MolecularFormula: C7H6Cl2N2O2
MolecularWeight: 221.0407
MdlNumber: MFCD16660199
Smiles: COC(=O)c1c(Cl)cc(nc1N)Cl
NscNumber: __
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 2.5
CatalogNumber:
AB50219
ChemicalName:
Methyl 2-Amino-4,6-dichloro-nicotinate
CasNumber:
1044872-40-3
MolecularFormula:
C7H6Cl2N2O2
MolecularWeight:
221.0407
MdlNumber:
MFCD16660199
Smiles:
COC(=O)c1c(Cl)cc(nc1N)Cl
NscNumber:
__
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.5
CatalogNumber: AB50220
ChemicalName: 4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
CasNumber: 340736-76-7
MolecularFormula: C10H5F3N2O3
MolecularWeight: 258.1535
MdlNumber: MFCD16659622
Smiles: OC(=O)c1ccc(cc1)c1noc(n1)C(F)(F)F
NscNumber: __
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 2.2
CatalogNumber:
AB50220
ChemicalName:
4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
CasNumber:
340736-76-7
MolecularFormula:
C10H5F3N2O3
MolecularWeight:
258.1535
MdlNumber:
MFCD16659622
Smiles:
OC(=O)c1ccc(cc1)c1noc(n1)C(F)(F)F
NscNumber:
__
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.2
CatalogNumber: AB50221
ChemicalName: 5-Methyl-3-oxo-hexanoic acid ethyl ester
CasNumber: 34036-16-3
MolecularFormula: C9H16O3
MolecularWeight: 172.2215
MdlNumber: MFCD00086868
Smiles: CCOC(=O)CC(=O)CC(C)C
NscNumber: 69069
Complexity: 161
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 6
UndefinedAtomStereocenterCount: __
Xlogp3: 1.5
CatalogNumber:
AB50221
ChemicalName:
5-Methyl-3-oxo-hexanoic acid ethyl ester
CasNumber:
34036-16-3
MolecularFormula:
C9H16O3
MolecularWeight:
172.2215
MdlNumber:
MFCD00086868
Smiles:
CCOC(=O)CC(=O)CC(C)C
NscNumber:
69069
Complexity:
161
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.5