AG79825
597565-52-1 | 5-(4-Carboxyphenyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AG79825
ChemicalName
5-(4-Carboxyphenyl)nicotinic acid
CasNumber
597565-52-1
MolecularFormula
C13H9NO4
MolecularWeight
243.2149
MdlNumber
MFCD18317340
Smiles
OC(=O)c1ccc(cc1)c1cncc(c1)C(=O)O
Complexity
323
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AG79825
ChemicalName: 5-(4-Carboxyphenyl)nicotinic acid
CasNumber: 597565-52-1
MolecularFormula: C13H9NO4
MolecularWeight: 243.2149
MdlNumber: MFCD18317340
Smiles: OC(=O)c1ccc(cc1)c1cncc(c1)C(=O)O
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AG79825
ChemicalName:
5-(4-Carboxyphenyl)nicotinic acid
CasNumber:
597565-52-1
MolecularFormula:
C13H9NO4
MolecularWeight:
243.2149
MdlNumber:
MFCD18317340
Smiles:
OC(=O)c1ccc(cc1)c1cncc(c1)C(=O)O
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: AG79826
ChemicalName: 4-Chloro-3-(morpholine-4-sulfonyl)benzoic acid
CasNumber: 59210-65-0
MolecularFormula: C11H12ClNO5S
MolecularWeight: 305.7347
MdlNumber: MFCD00635035
Smiles: OC(=O)c1ccc(c(c1)S(=O)(=O)N1CCOCC1)Cl
Complexity: 429
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.9
CatalogNumber:
AG79826
ChemicalName:
4-Chloro-3-(morpholine-4-sulfonyl)benzoic acid
CasNumber:
59210-65-0
MolecularFormula:
C11H12ClNO5S
MolecularWeight:
305.7347
MdlNumber:
MFCD00635035
Smiles:
OC(=O)c1ccc(c(c1)S(=O)(=O)N1CCOCC1)Cl
Complexity:
429
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.9
CatalogNumber: AG79827
ChemicalName: 1-(4-Chlorophenyl)cyclopropanecarbohydrazide
CasNumber: 633317-81-4
MolecularFormula: C10H11ClN2O
MolecularWeight: 210.6601
MdlNumber: MFCD11643329
Smiles: NNC(=O)C1(CC1)c1ccc(cc1)Cl
Complexity: 232
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AG79827
ChemicalName:
1-(4-Chlorophenyl)cyclopropanecarbohydrazide
CasNumber:
633317-81-4
MolecularFormula:
C10H11ClN2O
MolecularWeight:
210.6601
MdlNumber:
MFCD11643329
Smiles:
NNC(=O)C1(CC1)c1ccc(cc1)Cl
Complexity:
232
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNS(=O)(=O)c1cc(N)ccc1C
Complexity: 258
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNS(=O)(=O)c1cc(N)ccc1C
Complexity:
258
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6