AE62662
1261970-02-8 | 4-(Thiophen-2-yl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AE62662
ChemicalName
4-(Thiophen-2-yl)nicotinic acid
CasNumber
1261970-02-8
MolecularFormula
C10H7NO2S
MolecularWeight
205.2331
MdlNumber
MFCD18323294
Smiles
OC(=O)c1cnccc1c1cccs1
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AE62662
ChemicalName: 4-(Thiophen-2-yl)nicotinic acid
CasNumber: 1261970-02-8
MolecularFormula: C10H7NO2S
MolecularWeight: 205.2331
MdlNumber: MFCD18323294
Smiles: OC(=O)c1cnccc1c1cccs1
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AE62662
ChemicalName:
4-(Thiophen-2-yl)nicotinic acid
CasNumber:
1261970-02-8
MolecularFormula:
C10H7NO2S
MolecularWeight:
205.2331
MdlNumber:
MFCD18323294
Smiles:
OC(=O)c1cnccc1c1cccs1
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: AE62663
ChemicalName: 2,4-Diaminoisoindole-1,3-dione
CasNumber: 121433-36-1
MolecularFormula: C8H7N3O2
MolecularWeight: 177.1601
MdlNumber: MFCD20695051
Smiles: Nc1cccc2c1C(=O)N(C2=O)N
Complexity: 266
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AE62663
ChemicalName:
2,4-Diaminoisoindole-1,3-dione
CasNumber:
121433-36-1
MolecularFormula:
C8H7N3O2
MolecularWeight:
177.1601
MdlNumber:
MFCD20695051
Smiles:
Nc1cccc2c1C(=O)N(C2=O)N
Complexity:
266
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)Cc1cscc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)Cc1cscc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(C(=O)OC(C)(C)C)C1CC1
Complexity: 180
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(C(=O)OC(C)(C)C)C1CC1
Complexity:
180
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7