AI60791
90916-02-2 | 2-(4-Acetamido-3-nitrophenyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AI60791
ChemicalName
2-(4-Acetamido-3-nitrophenyl)acetic acid
CasNumber
90916-02-2
MolecularFormula
C10H10N2O5
MolecularWeight
238.1968
MdlNumber
MFCD16620204
Smiles
OC(=O)Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)C
Complexity
325
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.6
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CatalogNumber: AI60791
ChemicalName: 2-(4-Acetamido-3-nitrophenyl)acetic acid
CasNumber: 90916-02-2
MolecularFormula: C10H10N2O5
MolecularWeight: 238.1968
MdlNumber: MFCD16620204
Smiles: OC(=O)Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)C
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.6
CatalogNumber:
AI60791
ChemicalName:
2-(4-Acetamido-3-nitrophenyl)acetic acid
CasNumber:
90916-02-2
MolecularFormula:
C10H10N2O5
MolecularWeight:
238.1968
MdlNumber:
MFCD16620204
Smiles:
OC(=O)Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)C
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: COc1ccc(cc1)C1NNC(=O)C1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
COc1ccc(cc1)C1NNC(=O)C1
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COC(=O)c1ccc2c(c1)NCCN2
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Smiles:
COC(=O)c1ccc2c(c1)NCCN2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: CC1=C(C(=C(C=C1)C#N)F)I
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC1=C(C(=C(C=C1)C#N)F)I
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__