(NZ)-N-[2-(2,4-dinitrophenyl)cyclohexylidene]hydroxylamine
Formula:C12H13N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[2-(2,4-dinitrophenyl)cyclohexylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[2-(2,4-dinitrophenyl)cyclohexylidene]hydroxylamine |
| MolecularFormula | C12H13N3O5 |
| Smiles | [O-][N+](c1cc([N+]([O-])=O)c(C(CCCC2)/C2=N\O)cc1)=O |
| InChI | InChI=1S/C12H13N3O5/c16-13-11-4-2-1-3-9(11)10-6-5-8(14(17)18)7-12(10)15(19)20/h5-7,9,16H,1-4H2/b13-11-/t9-/m1/s1 |
| InChIK | JRYYVHYZZLOJHW-JLDYROKLSA-N |
| TotalMolweight | 279.251 |
| Molweight | 279.251 |
| MonoisotopicMass | 279.085522 |
| CLogP | 1.8662 |
| CLogS | -4.33 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 203.96 |
| Relative PSA | 0.41895 |
| PolarSurfaceArea | 124.23 |
| Druglikeness | -11.109 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
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1 - (NZ)-N-[2-(2,4-dinitrophenyl)cyclohexylidene]hydroxylamine | 2 - (NZ)-N-[2-(2,4-dinitrophenyl)cyclohexylidene]hydroxylamine
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