(E)-2-(2,4-dinitrophenyl)-N-[(4-nitrophenyl)methoxy]cyclohexan-1-imine
Formula:C19H18N4O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(2,4-dinitrophenyl)-N-[(4-nitrophenyl)methoxy]cyclohexan-1-imine is not a drug-like molecule.
| MolName | (E)-2-(2,4-dinitrophenyl)-N-[(4-nitrophenyl)methoxy]cyclohexan-1-imine |
| MolecularFormula | C19H18N4O7 |
| Smiles | [O-][N+](c1ccc(CO/N=C(\CCCC2)/C2c(ccc([N+]([O-])=O)c2)c2[N+]([O-])=O)cc1)=O |
| InChI | InChI=1S/C19H18N4O7/c24-21(25)14-7-5-13(6-8-14)12-30-20-18-4-2-1-3-16(18)17-10-9-15(22(26)27)11-19(17)23(28)29/h5-11,16H,1-4,12H2/b20-18+/t16-/m1/s1 |
| InChIK | NPUREFXVNQHMSG-IGGDJGDASA-N |
| TotalMolweight | 414.373 |
| Molweight | 414.373 |
| MonoisotopicMass | 414.117551 |
| CLogP | 2.566 |
| CLogS | -6.117 |
| H Acceptors | 11 |
| TotalSurfaceArea | 304.8 |
| Relative PSA | 0.36998 |
| PolarSurfaceArea | 159.05 |
| Druglikeness | -9.0559 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| AcidicOxygens | 3 |
| StereoCon | racemate |
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1 - (E)-2-(2,4-dinitrophenyl)-N-[(4-nitrophenyl)methoxy]cyclohexan-1-imine | 2 - (E)-2-(2,4-dinitrophenyl)-N-[(4-nitrophenyl)methoxy]cyclohexan-1-imine
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