AI57792
86364-50-3 | 4-[(3-Carboxypropyl)amino]benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI57792
ChemicalName
4-[(3-Carboxypropyl)amino]benzoic acid
CasNumber
86364-50-3
MolecularFormula
C11H13NO4
MolecularWeight
223.2252
MdlNumber
MFCD22549314
Smiles
OC(=O)CCCNc1ccc(cc1)C(=O)O
Complexity
246
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
6
Xlogp3
1.3
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CatalogNumber: AI57792
ChemicalName: 4-[(3-Carboxypropyl)amino]benzoic acid
CasNumber: 86364-50-3
MolecularFormula: C11H13NO4
MolecularWeight: 223.2252
MdlNumber: MFCD22549314
Smiles: OC(=O)CCCNc1ccc(cc1)C(=O)O
Complexity: 246
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 6
Xlogp3: 1.3
CatalogNumber:
AI57792
ChemicalName:
4-[(3-Carboxypropyl)amino]benzoic acid
CasNumber:
86364-50-3
MolecularFormula:
C11H13NO4
MolecularWeight:
223.2252
MdlNumber:
MFCD22549314
Smiles:
OC(=O)CCCNc1ccc(cc1)C(=O)O
Complexity:
246
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
6
Xlogp3:
1.3
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Smiles: ON=C(c1cccc(c1)NC(=O)CN1CCOCC1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
ON=C(c1cccc(c1)NC(=O)CN1CCOCC1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: OC(=O)Cc1csc(n1)c1cscc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)Cc1csc(n1)c1cscc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: CCOC(=O)C(c1ccc(cc1)C#N)C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(c1ccc(cc1)C#N)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__