AG71547
56619-97-7 | 4-(2,2-Dimethylpropionylamino)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG71547
ChemicalName
4-(2,2-Dimethylpropionylamino)benzoic acid
CasNumber
56619-97-7
MolecularFormula
C12H15NO3
MolecularWeight
221.2524
MdlNumber
MFCD00449558
Smiles
O=C(C(C)(C)C)Nc1ccc(cc1)C(=O)O
Complexity
273
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AG71547
ChemicalName: 4-(2,2-Dimethylpropionylamino)benzoic acid
CasNumber: 56619-97-7
MolecularFormula: C12H15NO3
MolecularWeight: 221.2524
MdlNumber: MFCD00449558
Smiles: O=C(C(C)(C)C)Nc1ccc(cc1)C(=O)O
Complexity: 273
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AG71547
ChemicalName:
4-(2,2-Dimethylpropionylamino)benzoic acid
CasNumber:
56619-97-7
MolecularFormula:
C12H15NO3
MolecularWeight:
221.2524
MdlNumber:
MFCD00449558
Smiles:
O=C(C(C)(C)C)Nc1ccc(cc1)C(=O)O
Complexity:
273
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.7
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MolecularFormula: __
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Smiles: CCN(C(=O)c1ccc(cc1)N)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCN(C(=O)c1ccc(cc1)N)c1ccccc1
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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MolecularFormula: __
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Smiles: CC(NCc1ccccn1)(C)C
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC(NCc1ccccn1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: O=Cc1cnc2n1CCSC2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cnc2n1CCSC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__