(NZ)-N-[[6-(4-chlorophenyl)sulfanylpyridin-3-yl]methylidene]hydroxylamine
Formula:C12H9N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[6-(4-chlorophenyl)sulfanylpyridin-3-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[6-(4-chlorophenyl)sulfanylpyridin-3-yl]methylidene]hydroxylamine |
| MolecularFormula | C12H9N2OClS |
| Smiles | O/N=C\c(cc1)cnc1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C12H9ClN2OS/c13-10-2-4-11(5-3-10)17-12-6-1-9(7-14-12)8-15-16/h1-8,16H |
| InChIK | IAPLKXUVLRMUMN-UHFFFAOYSA-N |
| TotalMolweight | 264.735 |
| Molweight | 264.735 |
| MonoisotopicMass | 264.01241 |
| CLogP | 3.7379 |
| CLogS | -3.805 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 195.8 |
| Relative PSA | 0.27104 |
| PolarSurfaceArea | 70.78 |
| Druglikeness | -0.27479 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.76471 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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