(NZ)-N-[[4-[(2-chlorophenyl)methylsulfanyl]-3-nitrophenyl]methylidene]hydroxylamine
Formula:C14H11N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[4-[(2-chlorophenyl)methylsulfanyl]-3-nitrophenyl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[4-[(2-chlorophenyl)methylsulfanyl]-3-nitrophenyl]methylidene]hydroxylamine |
| MolecularFormula | C14H11N2O3ClS |
| Smiles | [O-][N+](c(cc(/C=N\O)cc1)c1SCc(cccc1)c1Cl)=O |
| InChI | InChI=1S/C14H11ClN2O3S/c15-12-4-2-1-3-11(12)9-21-14-6-5-10(8-16-18)7-13(14)17(19)20/h1-8,18H,9H2 |
| InChIK | WWFGIHVYRFFJLK-UHFFFAOYSA-N |
| TotalMolweight | 322.771 |
| Molweight | 322.771 |
| MonoisotopicMass | 322.01789 |
| CLogP | 3.8601 |
| CLogS | -5.94 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 234.47 |
| Relative PSA | 0.30929 |
| PolarSurfaceArea | 103.71 |
| Druglikeness | -5.3011 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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