AI57505
858981-15-4 | 3-(Dimethylcarbamoyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI57505
ChemicalName
3-(Dimethylcarbamoyl)benzoic acid
CasNumber
858981-15-4
MolecularFormula
C10H11NO3
MolecularWeight
193.19924000000003
MdlNumber
MFCD12173495
Smiles
CN(C(=O)c1cccc(c1)C(=O)O)C
Complexity
238
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.1
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CatalogNumber: AI57505
ChemicalName: 3-(Dimethylcarbamoyl)benzoic acid
CasNumber: 858981-15-4
MolecularFormula: C10H11NO3
MolecularWeight: 193.19924000000003
MdlNumber: MFCD12173495
Smiles: CN(C(=O)c1cccc(c1)C(=O)O)C
Complexity: 238
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.1
CatalogNumber:
AI57505
ChemicalName:
3-(Dimethylcarbamoyl)benzoic acid
CasNumber:
858981-15-4
MolecularFormula:
C10H11NO3
MolecularWeight:
193.19924000000003
MdlNumber:
MFCD12173495
Smiles:
CN(C(=O)c1cccc(c1)C(=O)O)C
Complexity:
238
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.1
CatalogNumber: AI57506
ChemicalName: Lincomycin hydrochloride
CasNumber: 859-18-7
MolecularFormula: C18H35ClN2O6S
MolecularWeight: 442.9983
MdlNumber: MFCD00167245
Smiles: CCC[C@H]1CN([C@@H](C1)C(=O)N[C@@H]([C@H]1O[C@H](SC)[C@@H](C([C@H]1O)O)O)[C@H](O)C)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI57506
ChemicalName:
Lincomycin hydrochloride
CasNumber:
859-18-7
MolecularFormula:
C18H35ClN2O6S
MolecularWeight:
442.9983
MdlNumber:
MFCD00167245
Smiles:
CCC[C@H]1CN([C@@H](C1)C(=O)N[C@@H]([C@H]1O[C@H](SC)[C@@H](C([C@H]1O)O)O)[C@H](O)C)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__