AA89135
16675-59-5 | Methyl isoquinoline-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA89135
ChemicalName
Methyl isoquinoline-5-carboxylate
CasNumber
16675-59-5
MolecularFormula
C11H9NO2
MolecularWeight
187.1947
MdlNumber
MFCD06204278
Smiles
COC(=O)c1cccc2c1ccnc2
NscNumber
226876
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AA89135
ChemicalName: Methyl isoquinoline-5-carboxylate
CasNumber: 16675-59-5
MolecularFormula: C11H9NO2
MolecularWeight: 187.1947
MdlNumber: MFCD06204278
Smiles: COC(=O)c1cccc2c1ccnc2
NscNumber: 226876
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AA89135
ChemicalName:
Methyl isoquinoline-5-carboxylate
CasNumber:
16675-59-5
MolecularFormula:
C11H9NO2
MolecularWeight:
187.1947
MdlNumber:
MFCD06204278
Smiles:
COC(=O)c1cccc2c1ccnc2
NscNumber:
226876
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2
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Smiles: Nc1cc(n(n1)C)N
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Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
Nc1cc(n(n1)C)N
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Smiles: c1ccc(cc1)N1N=C(N([C]1)c1ccccc1)c1ccccc1
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Smiles:
c1ccc(cc1)N1N=C(N([C]1)c1ccccc1)c1ccccc1
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__
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Smiles: Clc1nccc(c1N)C(F)(F)F
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MolecularFormula:
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MolecularWeight:
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Smiles:
Clc1nccc(c1N)C(F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__