AH83636
93316-40-6 | 2-Benzoyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AH83636
ChemicalName
2-Benzoyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
CasNumber
93316-40-6
MolecularFormula
C17H15NO3
MolecularWeight
281.3059
MdlNumber
MFCD00532902
Smiles
OC(=O)C1Cc2ccccc2CN1C(=O)c1ccccc1
Complexity
403
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
2.5
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CatalogNumber: AH83636
ChemicalName: 2-Benzoyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
CasNumber: 93316-40-6
MolecularFormula: C17H15NO3
MolecularWeight: 281.3059
MdlNumber: MFCD00532902
Smiles: OC(=O)C1Cc2ccccc2CN1C(=O)c1ccccc1
Complexity: 403
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.5
CatalogNumber:
AH83636
ChemicalName:
2-Benzoyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
CasNumber:
93316-40-6
MolecularFormula:
C17H15NO3
MolecularWeight:
281.3059
MdlNumber:
MFCD00532902
Smiles:
OC(=O)C1Cc2ccccc2CN1C(=O)c1ccccc1
Complexity:
403
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.5
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Smiles: COc1ccc(cc1Cn1cncc1)C=O
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Smiles:
COc1ccc(cc1Cn1cncc1)C=O
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__
HydrogenBondAcceptorCount:
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Smiles: C1=CC(=C(C=C1CN2C=C(C=N2)N)Cl)Cl
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Smiles:
C1=CC(=C(C=C1CN2C=C(C=N2)N)Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(cc1)n1nc(c(c1C)Cl)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(cc1)n1nc(c(c1C)Cl)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__