AI24179
1261957-67-8 | 4-(Thiophen-3-yl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AI24179
ChemicalName
4-(Thiophen-3-yl)nicotinic acid
CasNumber
1261957-67-8
MolecularFormula
C10H7NO2S
MolecularWeight
205.2331
MdlNumber
MFCD18323296
Smiles
OC(=O)c1cnccc1c1cscc1
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AI24179
ChemicalName: 4-(Thiophen-3-yl)nicotinic acid
CasNumber: 1261957-67-8
MolecularFormula: C10H7NO2S
MolecularWeight: 205.2331
MdlNumber: MFCD18323296
Smiles: OC(=O)c1cnccc1c1cscc1
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AI24179
ChemicalName:
4-(Thiophen-3-yl)nicotinic acid
CasNumber:
1261957-67-8
MolecularFormula:
C10H7NO2S
MolecularWeight:
205.2331
MdlNumber:
MFCD18323296
Smiles:
OC(=O)c1cnccc1c1cscc1
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: __
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Smiles: COC(=O)C1=C(C=CC(=C1)C2=C(C=CN=C2)C(=O)O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
COC(=O)C1=C(C=CC(=C1)C2=C(C=CN=C2)C(=O)O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: OC(=O)c1ccc(cn1)c1cccc(c1F)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)c1ccc(cn1)c1cccc(c1F)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MdlNumber: __
Smiles: N#Cc1ccc(c(c1)c1ccccc1O)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccc(c(c1)c1ccccc1O)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__