AB81829
893740-67-5 | 5-(3-Benzyloxyphenyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB81829
ChemicalName
5-(3-Benzyloxyphenyl)nicotinic acid
CasNumber
893740-67-5
MolecularFormula
C19H15NO3
MolecularWeight
305.3273
MdlNumber
MFCD06802764
Smiles
OC(=O)c1cncc(c1)c1cccc(c1)OCc1ccccc1
Complexity
381
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3.5
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CatalogNumber: AB81829
ChemicalName: 5-(3-Benzyloxyphenyl)nicotinic acid
CasNumber: 893740-67-5
MolecularFormula: C19H15NO3
MolecularWeight: 305.3273
MdlNumber: MFCD06802764
Smiles: OC(=O)c1cncc(c1)c1cccc(c1)OCc1ccccc1
Complexity: 381
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.5
CatalogNumber:
AB81829
ChemicalName:
5-(3-Benzyloxyphenyl)nicotinic acid
CasNumber:
893740-67-5
MolecularFormula:
C19H15NO3
MolecularWeight:
305.3273
MdlNumber:
MFCD06802764
Smiles:
OC(=O)c1cncc(c1)c1cccc(c1)OCc1ccccc1
Complexity:
381
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.5
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Smiles: Clc1ccc(cc1)c1ccccc1C(=O)C
Complexity: __
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Smiles:
Clc1ccc(cc1)c1ccccc1C(=O)C
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Smiles: S=C(Nc1cccc(c1)[N+](=O)[O-])NC(=O)/C=C/c1ccccc1
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Smiles:
S=C(Nc1cccc(c1)[N+](=O)[O-])NC(=O)/C=C/c1ccccc1
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Smiles: Cc1ccc2c(n1)ccc(c2)c1ccc(o1)C(=O)O
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MolecularFormula:
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Smiles:
Cc1ccc2c(n1)ccc(c2)c1ccc(o1)C(=O)O
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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