AH84424
893738-16-4 | 5-(4-t-Butylphenyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AH84424
ChemicalName
5-(4-t-Butylphenyl)nicotinic acid
CasNumber
893738-16-4
MolecularFormula
C16H17NO2
MolecularWeight
255.3117
MdlNumber
MFCD06802650
Smiles
OC(=O)c1cncc(c1)c1ccc(cc1)C(C)(C)C
Complexity
313
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.7
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CatalogNumber: AH84424
ChemicalName: 5-(4-t-Butylphenyl)nicotinic acid
CasNumber: 893738-16-4
MolecularFormula: C16H17NO2
MolecularWeight: 255.3117
MdlNumber: MFCD06802650
Smiles: OC(=O)c1cncc(c1)c1ccc(cc1)C(C)(C)C
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AH84424
ChemicalName:
5-(4-t-Butylphenyl)nicotinic acid
CasNumber:
893738-16-4
MolecularFormula:
C16H17NO2
MolecularWeight:
255.3117
MdlNumber:
MFCD06802650
Smiles:
OC(=O)c1cncc(c1)c1ccc(cc1)C(C)(C)C
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.7
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Smiles: COc1cccc(c1)c1ccc(c(c1)C=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1cccc(c1)c1ccc(c(c1)C=O)O
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: O=Cc1ccc(s1)c1ccccc1C
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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MolecularFormula:
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Smiles:
O=Cc1ccc(s1)c1ccccc1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCC(=O)c1cc(n(c1)C)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(=O)c1cc(n(c1)C)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__