AI23951
1261954-99-7 | 2-Hydroxy-5-(4-t-butylphenyl)isonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AI23951
ChemicalName
2-Hydroxy-5-(4-t-butylphenyl)isonicotinic acid
CasNumber
1261954-99-7
MolecularFormula
C16H17NO3
MolecularWeight
271.3111
MdlNumber
MFCD18317769
Smiles
Oc1ncc(c(c1)C(=O)O)c1ccc(cc1)C(C)(C)C
Complexity
474
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
2.3
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CatalogNumber: AI23951
ChemicalName: 2-Hydroxy-5-(4-t-butylphenyl)isonicotinic acid
CasNumber: 1261954-99-7
MolecularFormula: C16H17NO3
MolecularWeight: 271.3111
MdlNumber: MFCD18317769
Smiles: Oc1ncc(c(c1)C(=O)O)c1ccc(cc1)C(C)(C)C
Complexity: 474
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AI23951
ChemicalName:
2-Hydroxy-5-(4-t-butylphenyl)isonicotinic acid
CasNumber:
1261954-99-7
MolecularFormula:
C16H17NO3
MolecularWeight:
271.3111
MdlNumber:
MFCD18317769
Smiles:
Oc1ncc(c(c1)C(=O)O)c1ccc(cc1)C(C)(C)C
Complexity:
474
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.3
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Smiles: C1=CSC=C1C2=CC(=C(N=C2)Cl)C(=O)O
Complexity: __
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HeavyAtomCount: __
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Xlogp3: __
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Smiles:
C1=CSC=C1C2=CC(=C(N=C2)Cl)C(=O)O
Complexity:
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__
HeavyAtomCount:
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Smiles: CCNC(=O)c1cccc(c1)c1cc(F)cc(c1)C(=O)O
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Smiles:
CCNC(=O)c1cccc(c1)c1cc(F)cc(c1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CNC(=O)c1cccc(c1)c1nccc(c1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNC(=O)c1cccc(c1)c1nccc(c1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__