AH85556
90685-58-8 | 2,3-Cyclopentenopyridine N-oxide
Manufacturer: A2B Chem
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CatalogNumber
AH85556
ChemicalName
2,3-Cyclopentenopyridine N-oxide
CasNumber
90685-58-8
MolecularFormula
C8H9NO
MolecularWeight
135.1632
MdlNumber
MFCD11110318
Smiles
[O-][n+]1cccc2c1CCC2
Complexity
126
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
Xlogp3
0.5
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CatalogNumber: AH85556
ChemicalName: 2,3-Cyclopentenopyridine N-oxide
CasNumber: 90685-58-8
MolecularFormula: C8H9NO
MolecularWeight: 135.1632
MdlNumber: MFCD11110318
Smiles: [O-][n+]1cccc2c1CCC2
Complexity: 126
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
Xlogp3: 0.5
CatalogNumber:
AH85556
ChemicalName:
2,3-Cyclopentenopyridine N-oxide
CasNumber:
90685-58-8
MolecularFormula:
C8H9NO
MolecularWeight:
135.1632
MdlNumber:
MFCD11110318
Smiles:
[O-][n+]1cccc2c1CCC2
Complexity:
126
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc2c(c1)c(=O)n(c(n2)C(Nc1ncnc2c1[nH]cn2)C)c1ccccc1
Complexity: 670
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: 3.2
CatalogNumber:
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Smiles:
Fc1ccc2c(c1)c(=O)n(c(n2)C(Nc1ncnc2c1[nH]cn2)C)c1ccccc1
Complexity:
670
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
3.2
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Smiles: O=C1C(=C(S(=O)(=O)N1C(C)(C)C)c1ccccc1)Nc1ccc(cc1)N1CCCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
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Smiles:
O=C1C(=C(S(=O)(=O)N1C(C)(C)C)c1ccccc1)Nc1ccc(cc1)N1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
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Smiles: COc1ccc(cc1C(=O)O)CN([C@H](c1ncc([nH]1)c1ccccc1)C)C(=O)[C@H](Cc1c(C)cc(cc1C)C(=O)N)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
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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:
COc1ccc(cc1C(=O)O)CN([C@H](c1ncc([nH]1)c1ccccc1)C)C(=O)[C@H](Cc1c(C)cc(cc1C)C(=O)N)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__