(NZ)-N-[(4-benzylsulfanyl-3-nitrophenyl)methylidene]hydroxylamine
Formula:C14H12N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(4-benzylsulfanyl-3-nitrophenyl)methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(4-benzylsulfanyl-3-nitrophenyl)methylidene]hydroxylamine |
| MolecularFormula | C14H12N2O3S |
| Smiles | [O-][N+](c(cc(/C=N\O)cc1)c1SCc1ccccc1)=O |
| InChI | InChI=1S/C14H12N2O3S/c17-15-9-12-6-7-14(13(8-12)16(18)19)20-10-11-4-2-1-3-5-11/h1-9,17H,10H2 |
| InChIK | CETBIGPNTSZNJQ-UHFFFAOYSA-N |
| TotalMolweight | 288.326 |
| Molweight | 288.326 |
| MonoisotopicMass | 288.056863 |
| CLogP | 3.2541 |
| CLogS | -5.204 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 219.05 |
| Relative PSA | 0.33107 |
| PolarSurfaceArea | 103.71 |
| Druglikeness | -5.412 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (NZ)-N-[(4-benzylsulfanyl-3-nitrophenyl)methylidene]hydroxylamine | 2 - (NZ)-N-[(4-benzylsulfanyl-3-nitrophenyl)methylidene]hydroxylamine
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