AB77271
1099929-70-0 | 8-Cyclopropylamino-5-nitroquinoline
Manufacturer: A2B Chem
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CatalogNumber
AB77271
ChemicalName
8-Cyclopropylamino-5-nitroquinoline
CasNumber
1099929-70-0
MolecularFormula
C12H11N3O2
MolecularWeight
229.2346
MdlNumber
MFCD11855891
Smiles
[O-][N+](=O)c1ccc(c2c1cccn2)NC1CC1
Complexity
301
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AB77271
ChemicalName: 8-Cyclopropylamino-5-nitroquinoline
CasNumber: 1099929-70-0
MolecularFormula: C12H11N3O2
MolecularWeight: 229.2346
MdlNumber: MFCD11855891
Smiles: [O-][N+](=O)c1ccc(c2c1cccn2)NC1CC1
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AB77271
ChemicalName:
8-Cyclopropylamino-5-nitroquinoline
CasNumber:
1099929-70-0
MolecularFormula:
C12H11N3O2
MolecularWeight:
229.2346
MdlNumber:
MFCD11855891
Smiles:
[O-][N+](=O)c1ccc(c2c1cccn2)NC1CC1
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]/C(=CC(=O)C(C)(C)C)/C(C)(C)C.[O-]/C(=CC(=O)C(C)(C)C)/C(C)(C)C.[O-]/C(=CC(=O)C(C)(C)C)/C(C)(C)C.[Nd+3].[Nd+3]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
[O-]/C(=CC(=O)C(C)(C)C)/C(C)(C)C.[O-]/C(=CC(=O)C(C)(C)C)/C(C)(C)C.[O-]/C(=CC(=O)C(C)(C)C)/C(C)(C)C.[Nd+3].[Nd+3]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCC(=O)c1ccccc1
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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Smiles:
CCCCCCCCCC(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCSC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
CCCCCCCCCCSC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__