AB33049
27810-64-6 | Isoquinoline-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB33049
ChemicalName
Isoquinoline-5-carboxylic acid
CasNumber
27810-64-6
MolecularFormula
C10H7NO2
MolecularWeight
173.1681
MdlNumber
MFCD03788744
Smiles
OC(=O)c1cccc2c1ccnc2
NscNumber
92776
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.6
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CatalogNumber: AB33049
ChemicalName: Isoquinoline-5-carboxylic acid
CasNumber: 27810-64-6
MolecularFormula: C10H7NO2
MolecularWeight: 173.1681
MdlNumber: MFCD03788744
Smiles: OC(=O)c1cccc2c1ccnc2
NscNumber: 92776
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AB33049
ChemicalName:
Isoquinoline-5-carboxylic acid
CasNumber:
27810-64-6
MolecularFormula:
C10H7NO2
MolecularWeight:
173.1681
MdlNumber:
MFCD03788744
Smiles:
OC(=O)c1cccc2c1ccnc2
NscNumber:
92776
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.6
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MolecularFormula: __
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Smiles: BrC1CC2CCC(C1)N2C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
BrC1CC2CCC(C1)N2C
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Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Cc1cccc2c1no[n+]2[O-]
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Smiles:
Cc1cccc2c1no[n+]2[O-]
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Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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MolecularFormula: __
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Smiles: Cc1cnn[nH]1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Cc1cnn[nH]1
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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