AI59545
887350-88-1 | 1-Cyclopropyl-1,3-benzodiazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI59545
ChemicalName
1-Cyclopropyl-1,3-benzodiazole-5-carboxylic acid
CasNumber
887350-88-1
MolecularFormula
C11H10N2O2
MolecularWeight
202.2093
MdlNumber
MFCD08448267
Smiles
OC(=O)c1ccc2c(c1)ncn2C1CC1
Complexity
278
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AI59545
ChemicalName: 1-Cyclopropyl-1,3-benzodiazole-5-carboxylic acid
CasNumber: 887350-88-1
MolecularFormula: C11H10N2O2
MolecularWeight: 202.2093
MdlNumber: MFCD08448267
Smiles: OC(=O)c1ccc2c(c1)ncn2C1CC1
Complexity: 278
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AI59545
ChemicalName:
1-Cyclopropyl-1,3-benzodiazole-5-carboxylic acid
CasNumber:
887350-88-1
MolecularFormula:
C11H10N2O2
MolecularWeight:
202.2093
MdlNumber:
MFCD08448267
Smiles:
OC(=O)c1ccc2c(c1)ncn2C1CC1
Complexity:
278
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
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Smiles: Cc1c(NC(=O)CN)cccc1Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Cc1c(NC(=O)CN)cccc1Cl
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Smiles: CCOc1c(C)cccc1c1nnc(s1)N
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Smiles:
CCOc1c(C)cccc1c1nnc(s1)N
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RotatableBondCount:
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Smiles: COC(=O)c1ccc(o1)CNc1ccccc1OC
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(o1)CNc1ccccc1OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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