AB49315
50428-03-0 | D,L-propargylglycine
Manufacturer: A2B Chem
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CatalogNumber
AB49315
ChemicalName
D,L-propargylglycine
CasNumber
50428-03-0
MolecularFormula
C5H7NO2
MolecularWeight
113.1146
MdlNumber
MFCD00056728
Smiles
NC(C(=O)O)CC#C
NscNumber
21940
Complexity
133
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
-2.8
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CatalogNumber: AB49315
ChemicalName: D,L-propargylglycine
CasNumber: 50428-03-0
MolecularFormula: C5H7NO2
MolecularWeight: 113.1146
MdlNumber: MFCD00056728
Smiles: NC(C(=O)O)CC#C
NscNumber: 21940
Complexity: 133
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: -2.8
CatalogNumber:
AB49315
ChemicalName:
D,L-propargylglycine
CasNumber:
50428-03-0
MolecularFormula:
C5H7NO2
MolecularWeight:
113.1146
MdlNumber:
MFCD00056728
Smiles:
NC(C(=O)O)CC#C
NscNumber:
21940
Complexity:
133
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
-2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cnc2n1ccs2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cnc2n1ccs2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB49317
ChemicalName: D-Cystine
CasNumber: 349-46-2
MolecularFormula: C6H12N2O4S2
MolecularWeight: 240.3005
MdlNumber: MFCD00002610
Smiles: N[C@@H](C(=O)O)CSSC[C@H](C(=O)O)N
NscNumber: __
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 4
RotatableBondCount: 7
UndefinedAtomStereocenterCount: __
Xlogp3: -6.3
CatalogNumber:
AB49317
ChemicalName:
D-Cystine
CasNumber:
349-46-2
MolecularFormula:
C6H12N2O4S2
MolecularWeight:
240.3005
MdlNumber:
MFCD00002610
Smiles:
N[C@@H](C(=O)O)CSSC[C@H](C(=O)O)N
NscNumber:
__
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
4
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
__
Xlogp3:
-6.3
CatalogNumber: AB49318
ChemicalName: 2-Amino-6-chloronicotinonitrile
CasNumber: 52471-07-5
MolecularFormula: C6H4ClN3
MolecularWeight: 153.5691
MdlNumber: MFCD18261104
Smiles: Nc1nc(Cl)ccc1C#N
NscNumber: __
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.7
CatalogNumber:
AB49318
ChemicalName:
2-Amino-6-chloronicotinonitrile
CasNumber:
52471-07-5
MolecularFormula:
C6H4ClN3
MolecularWeight:
153.5691
MdlNumber:
MFCD18261104
Smiles:
Nc1nc(Cl)ccc1C#N
NscNumber:
__
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.7