2-(4-chlorophenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Formula:C19H15N2OClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-(4-chlorophenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-chlorophenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide |
| MolecularFormula | C19H15N2OClS |
| Smiles | O=C(CSc(cc1)ccc1Cl)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C19H15ClN2OS/c20-16-8-10-17(11-9-16)24-13-19(23)22-21-12-15-6-3-5-14-4-1-2-7-18(14)15/h1-12H,13H2,(H,22,23) |
| InChIK | RHNSNSOGODWBRY-UHFFFAOYSA-N |
| TotalMolweight | 354.86 |
| Molweight | 354.86 |
| MonoisotopicMass | 354.05936 |
| CLogP | 5.2148 |
| CLogS | -6.605 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 268.26 |
| Relative PSA | 0.19943 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 4.8128 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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