(NZ)-N-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]hydroxylamine
Formula:C13H9N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]hydroxylamine |
| MolecularFormula | C13H9N2O3ClS |
| Smiles | [O-][N+](c(cc(/C=N\O)cc1)c1Sc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C13H9ClN2O3S/c14-10-2-4-11(5-3-10)20-13-6-1-9(8-15-17)7-12(13)16(18)19/h1-8,17H |
| InChIK | MDDDHPZZRKOTJH-UHFFFAOYSA-N |
| TotalMolweight | 308.744 |
| Molweight | 308.744 |
| MonoisotopicMass | 308.00224 |
| CLogP | 3.7198 |
| CLogS | -5.297 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 220.71 |
| Relative PSA | 0.32858 |
| PolarSurfaceArea | 103.71 |
| Druglikeness | -5.4591 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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