AB69999
51362-38-0 | 6-Phenoxynicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB69999
ChemicalName
6-Phenoxynicotinic acid
CasNumber
51362-38-0
MolecularFormula
C12H9NO3
MolecularWeight
215.2048
MdlNumber
MFCD00209558
Smiles
OC(=O)c1ccc(nc1)Oc1ccccc1
Complexity
238
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AB69999
ChemicalName: 6-Phenoxynicotinic acid
CasNumber: 51362-38-0
MolecularFormula: C12H9NO3
MolecularWeight: 215.2048
MdlNumber: MFCD00209558
Smiles: OC(=O)c1ccc(nc1)Oc1ccccc1
Complexity: 238
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AB69999
ChemicalName:
6-Phenoxynicotinic acid
CasNumber:
51362-38-0
MolecularFormula:
C12H9NO3
MolecularWeight:
215.2048
MdlNumber:
MFCD00209558
Smiles:
OC(=O)c1ccc(nc1)Oc1ccccc1
Complexity:
238
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.2
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Smiles: OCCCCCCc1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
OCCCCCCc1ccccc1
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: O=Cc1c(nc2n1CCS2)c1ccccc1
Complexity: __
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RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=Cc1c(nc2n1CCS2)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CC#CCCCc1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC#CCCCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__