(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine
Formula:C17H15N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine is a drug-like molecule.
| MolName | (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine |
| MolecularFormula | C17H15N2O3Cl |
| Smiles | [O-][N+](c1ccc(CO/N=C(\C2CC2)/c(cc2)ccc2Cl)cc1)=O |
| InChI | InChI=1S/C17H15ClN2O3/c18-15-7-5-14(6-8-15)17(13-3-4-13)19-23-11-12-1-9-16(10-2-12)20(21)22/h1-2,5-10,13H,3-4,11H2 |
| InChIK | LZLLLIXVUHWOKV-UHFFFAOYSA-N |
| TotalMolweight | 330.77 |
| Molweight | 330.77 |
| MonoisotopicMass | 330.07712 |
| CLogP | 3.7761 |
| CLogS | -5.714 |
| H Acceptors | 5 |
| TotalSurfaceArea | 245.36 |
| Relative PSA | 0.21165 |
| PolarSurfaceArea | 67.41 |
| Druglikeness | -3.1259 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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