AG17340
5466-31-9 | 2-(4-Chloro-phenyl)-quinoline-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG17340
ChemicalName
2-(4-Chloro-phenyl)-quinoline-4-carboxylic acid
CasNumber
5466-31-9
MolecularFormula
C16H10ClNO2
MolecularWeight
283.7091
MdlNumber
MFCD00085413
Smiles
Clc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)O
NscNumber
25670
Complexity
354
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4
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CatalogNumber: AG17340
ChemicalName: 2-(4-Chloro-phenyl)-quinoline-4-carboxylic acid
CasNumber: 5466-31-9
MolecularFormula: C16H10ClNO2
MolecularWeight: 283.7091
MdlNumber: MFCD00085413
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)O
NscNumber: 25670
Complexity: 354
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4
CatalogNumber:
AG17340
ChemicalName:
2-(4-Chloro-phenyl)-quinoline-4-carboxylic acid
CasNumber:
5466-31-9
MolecularFormula:
C16H10ClNO2
MolecularWeight:
283.7091
MdlNumber:
MFCD00085413
Smiles:
Clc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)O
NscNumber:
25670
Complexity:
354
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4
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Smiles: Brc1ccc(s1)C1OCCO1
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Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
Brc1ccc(s1)C1OCCO1
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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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Smiles: CCOC(=O)c1cc(O)c2c(n1)c(OC)ccc2
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCOC(=O)c1cc(O)c2c(n1)c(OC)ccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: CCOC(=O)[C@@H](NCc1ccccc1)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)[C@@H](NCc1ccccc1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__