AH21606
669070-72-8 | 1-Cyclohexylbenzodiazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AH21606
ChemicalName
1-Cyclohexylbenzodiazole-5-carboxylic acid
CasNumber
669070-72-8
MolecularFormula
C14H16N2O2
MolecularWeight
244.289
MdlNumber
MFCD03830162
Smiles
OC(=O)c1ccc2c(c1)ncn2C1CCCCC1
Complexity
315
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AH21606
ChemicalName: 1-Cyclohexylbenzodiazole-5-carboxylic acid
CasNumber: 669070-72-8
MolecularFormula: C14H16N2O2
MolecularWeight: 244.289
MdlNumber: MFCD03830162
Smiles: OC(=O)c1ccc2c(c1)ncn2C1CCCCC1
Complexity: 315
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AH21606
ChemicalName:
1-Cyclohexylbenzodiazole-5-carboxylic acid
CasNumber:
669070-72-8
MolecularFormula:
C14H16N2O2
MolecularWeight:
244.289
MdlNumber:
MFCD03830162
Smiles:
OC(=O)c1ccc2c(c1)ncn2C1CCCCC1
Complexity:
315
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC1(N)CCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CC1(N)CCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AH21608
ChemicalName: 4-(Diethylcarbamoyl)benzoic acid
CasNumber: 71888-24-9
MolecularFormula: C12H15NO3
MolecularWeight: 221.2524
MdlNumber: MFCD12173474
Smiles: CCN(C(=O)c1ccc(cc1)C(=O)O)CC
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.8
CatalogNumber:
AH21608
ChemicalName:
4-(Diethylcarbamoyl)benzoic acid
CasNumber:
71888-24-9
MolecularFormula:
C12H15NO3
MolecularWeight:
221.2524
MdlNumber:
MFCD12173474
Smiles:
CCN(C(=O)c1ccc(cc1)C(=O)O)CC
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCCN1c1cccc(c1C)N
Complexity: 229
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCCN1c1cccc(c1C)N
Complexity:
229
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1