AC88189
99009-85-5 | 4-Isobutylamino-3-nitroquinoline
Manufacturer: A2B Chem
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CatalogNumber
AC88189
ChemicalName
4-Isobutylamino-3-nitroquinoline
CasNumber
99009-85-5
MolecularFormula
C13H15N3O2
MolecularWeight
245.2771
MdlNumber
MFCD07787597
Smiles
CC(CNc1c(cnc2c1cccc2)[N+](=O)[O-])C
Complexity
291
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.9
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CatalogNumber: AC88189
ChemicalName: 4-Isobutylamino-3-nitroquinoline
CasNumber: 99009-85-5
MolecularFormula: C13H15N3O2
MolecularWeight: 245.2771
MdlNumber: MFCD07787597
Smiles: CC(CNc1c(cnc2c1cccc2)[N+](=O)[O-])C
Complexity: 291
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.9
CatalogNumber:
AC88189
ChemicalName:
4-Isobutylamino-3-nitroquinoline
CasNumber:
99009-85-5
MolecularFormula:
C13H15N3O2
MolecularWeight:
245.2771
MdlNumber:
MFCD07787597
Smiles:
CC(CNc1c(cnc2c1cccc2)[N+](=O)[O-])C
Complexity:
291
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)C(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: SC(=S)N1CCNCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
SC(=S)N1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N=C(Nc1ccccc1)NCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N=C(Nc1ccccc1)NCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__