(Z)-1-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]-N-[(4-nitrophenyl)methoxy]methanimine
Formula:C20H14N3O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]-N-[(4-nitrophenyl)methoxy]methanimine is a drug-like molecule.
| MolName | (Z)-1-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]-N-[(4-nitrophenyl)methoxy]methanimine |
| MolecularFormula | C20H14N3O5ClS |
| Smiles | [O-][N+](c1ccc(CO/N=C\c(cc2)cc([N+]([O-])=O)c2Sc(cc2)ccc2Cl)cc1)=O |
| InChI | InChI=1S/C20H14ClN3O5S/c21-16-4-8-18(9-5-16)30-20-10-3-15(11-19(20)24(27)28)12-22-29-13-14-1-6-17(7-2-14)23(25)26/h1-12H,13H2 |
| InChIK | KBJHQTUHWPVYBN-UHFFFAOYSA-N |
| TotalMolweight | 443.866 |
| Molweight | 443.866 |
| MonoisotopicMass | 443.034269 |
| CLogP | 4.4196 |
| CLogS | -7.084 |
| H Acceptors | 8 |
| TotalSurfaceArea | 321.55 |
| Relative PSA | 0.3105 |
| PolarSurfaceArea | 138.53 |
| Druglikeness | -4.5427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
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