AG78604
621-43-2 | 2-(3,4-Diaminophenyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AG78604
ChemicalName
2-(3,4-Diaminophenyl)acetic acid
CasNumber
621-43-2
MolecularFormula
C8H10N2O2
MolecularWeight
166.1772
MdlNumber
MFCD09842460
Smiles
OC(=O)Cc1ccc(c(c1)N)N
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
-0.3
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CatalogNumber: AG78604
ChemicalName: 2-(3,4-Diaminophenyl)acetic acid
CasNumber: 621-43-2
MolecularFormula: C8H10N2O2
MolecularWeight: 166.1772
MdlNumber: MFCD09842460
Smiles: OC(=O)Cc1ccc(c(c1)N)N
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: -0.3
CatalogNumber:
AG78604
ChemicalName:
2-(3,4-Diaminophenyl)acetic acid
CasNumber:
621-43-2
MolecularFormula:
C8H10N2O2
MolecularWeight:
166.1772
MdlNumber:
MFCD09842460
Smiles:
OC(=O)Cc1ccc(c(c1)N)N
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
-0.3
CatalogNumber: __
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MolecularFormula: __
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Smiles: Nc1cnc(nc1)S(=O)(=O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Nc1cnc(nc1)S(=O)(=O)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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__
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Smiles: CSc1nccc(n1)c1cccnc1
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Smiles:
CSc1nccc(n1)c1cccnc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC(=O)OCC1C(C(C(C(O1)O)OC(=O)C)OC(=O)C)OC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OCC1C(C(C(C(O1)O)OC(=O)C)OC(=O)C)OC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__