(Z)-N-[(4-chlorophenyl)methoxy]-1-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methanimine
Formula:C20H14N2O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(4-chlorophenyl)methoxy]-1-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methanimine is not a drug-like molecule.
| MolName | (Z)-N-[(4-chlorophenyl)methoxy]-1-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methanimine |
| MolecularFormula | C20H14N2O3Cl2S |
| Smiles | [O-][N+](c(cc(/C=N\OCc(cc1)ccc1Cl)cc1)c1Sc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C20H14Cl2N2O3S/c21-16-4-1-14(2-5-16)13-27-23-12-15-3-10-20(19(11-15)24(25)26)28-18-8-6-17(22)7-9-18/h1-12H,13H2 |
| InChIK | CICSNIZXQQMKOT-UHFFFAOYSA-N |
| TotalMolweight | 433.314 |
| Molweight | 433.314 |
| MonoisotopicMass | 432.010217 |
| CLogP | 5.9472 |
| CLogS | -7.36 |
| H Acceptors | 5 |
| TotalSurfaceArea | 313.3 |
| Relative PSA | 0.22158 |
| PolarSurfaceArea | 92.71 |
| Druglikeness | -4.5427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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