AB49403
6027-13-0 | L-Homocysteine
Manufacturer: A2B Chem
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CatalogNumber
AB49403
ChemicalName
L-Homocysteine
CasNumber
6027-13-0
MolecularFormula
C4H9NO2S
MolecularWeight
135.1848
MdlNumber
MFCD00151320
Smiles
N[C@H](C(=O)O)CCS
Complexity
86.1
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
-3.4
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CatalogNumber: AB49403
ChemicalName: L-Homocysteine
CasNumber: 6027-13-0
MolecularFormula: C4H9NO2S
MolecularWeight: 135.1848
MdlNumber: MFCD00151320
Smiles: N[C@H](C(=O)O)CCS
Complexity: 86.1
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: -3.4
CatalogNumber:
AB49403
ChemicalName:
L-Homocysteine
CasNumber:
6027-13-0
MolecularFormula:
C4H9NO2S
MolecularWeight:
135.1848
MdlNumber:
MFCD00151320
Smiles:
N[C@H](C(=O)O)CCS
Complexity:
86.1
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
-3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCc1ncccn1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCc1ncccn1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB49406
ChemicalName: 2-Chloro-5-nitronicotinic acid
CasNumber: 42959-38-6
MolecularFormula: C6H3ClN2O4
MolecularWeight: 202.552
MdlNumber: MFCD06658402
Smiles: [O-][N+](=O)c1cnc(c(c1)C(=O)O)Cl
Complexity: 229
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AB49406
ChemicalName:
2-Chloro-5-nitronicotinic acid
CasNumber:
42959-38-6
MolecularFormula:
C6H3ClN2O4
MolecularWeight:
202.552
MdlNumber:
MFCD06658402
Smiles:
[O-][N+](=O)c1cnc(c(c1)C(=O)O)Cl
Complexity:
229
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2