AI27640
1262000-45-2 | 2-(Naphthalen-2-yl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AI27640
ChemicalName
2-(Naphthalen-2-yl)nicotinic acid
CasNumber
1262000-45-2
MolecularFormula
C16H11NO2
MolecularWeight
249.26404
MdlNumber
MFCD18317655
Smiles
OC(=O)c1cccnc1c1ccc2c(c1)cccc2
Complexity
331
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AI27640
ChemicalName: 2-(Naphthalen-2-yl)nicotinic acid
CasNumber: 1262000-45-2
MolecularFormula: C16H11NO2
MolecularWeight: 249.26404
MdlNumber: MFCD18317655
Smiles: OC(=O)c1cccnc1c1ccc2c(c1)cccc2
Complexity: 331
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AI27640
ChemicalName:
2-(Naphthalen-2-yl)nicotinic acid
CasNumber:
1262000-45-2
MolecularFormula:
C16H11NO2
MolecularWeight:
249.26404
MdlNumber:
MFCD18317655
Smiles:
OC(=O)c1cccnc1c1ccc2c(c1)cccc2
Complexity:
331
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: N#Cc1cc(ccc1O)c1csc(c1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
N#Cc1cc(ccc1O)c1csc(c1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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ChemicalName: __
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Smiles: Oc1ccc(cc1C)c1ccc(c(c1)C(F)(F)F)F
Complexity: __
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HeavyAtomCount: __
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
Oc1ccc(cc1C)c1ccc(c(c1)C(F)(F)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cc(ccc1C)c1ccccc1O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cc(ccc1C)c1ccccc1O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__