AA45480
129655-57-8 | 2-Methyl-1-((3-nitroquinolin-4-yl)amino)propan-2-ol
Manufacturer: A2B Chem
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CatalogNumber
AA45480
ChemicalName
2-Methyl-1-((3-nitroquinolin-4-yl)amino)propan-2-ol
CasNumber
129655-57-8
MolecularFormula
C13H15N3O3
MolecularWeight
261.2765
MdlNumber
MFCD22044569
Smiles
[O-][N+](=O)c1cnc2c(c1NCC(O)(C)C)cccc2
Complexity
330
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AA45480
ChemicalName: 2-Methyl-1-((3-nitroquinolin-4-yl)amino)propan-2-ol
CasNumber: 129655-57-8
MolecularFormula: C13H15N3O3
MolecularWeight: 261.2765
MdlNumber: MFCD22044569
Smiles: [O-][N+](=O)c1cnc2c(c1NCC(O)(C)C)cccc2
Complexity: 330
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AA45480
ChemicalName:
2-Methyl-1-((3-nitroquinolin-4-yl)amino)propan-2-ol
CasNumber:
129655-57-8
MolecularFormula:
C13H15N3O3
MolecularWeight:
261.2765
MdlNumber:
MFCD22044569
Smiles:
[O-][N+](=O)c1cnc2c(c1NCC(O)(C)C)cccc2
Complexity:
330
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.5
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Smiles: CCOC(=O)c1ccc2c(c1)cc([nH]2)C(=O)[O-]
Complexity: __
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Smiles:
CCOC(=O)c1ccc2c(c1)cc([nH]2)C(=O)[O-]
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Smiles: Oc1ccc(c(c1C)C)SC(F)(F)F
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Oc1ccc(c(c1C)C)SC(F)(F)F
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Smiles: FC(Sc1cc(C)c(c(c1)C)O)(F)F
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
FC(Sc1cc(C)c(c(c1)C)O)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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