benzyl N'-[(Z)-(4-chlorophenyl)methylideneamino]carbamimidothioate
Formula:C15H14N3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
benzyl N'-[(Z)-(4-chlorophenyl)methylideneamino]carbamimidothioate is not a drug-like molecule.
| MolName | benzyl N'-[(Z)-(4-chlorophenyl)methylideneamino]carbamimidothioate |
| MolecularFormula | C15H14N3ClS |
| Smiles | N/C(/SCc1ccccc1)=N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H14ClN3S/c16-14-8-6-12(7-9-14)10-18-19-15(17)20-11-13-4-2-1-3-5-13/h1-10H,11H2,(H2,17,19) |
| InChIK | SAPAPXOKISSUSU-UHFFFAOYSA-N |
| TotalMolweight | 303.816 |
| Molweight | 303.816 |
| MonoisotopicMass | 303.059694 |
| CLogP | 5.1967 |
| CLogS | -5.852 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 235.94 |
| Relative PSA | 0.23642 |
| PolarSurfaceArea | 76.04 |
| Druglikeness | 1.9542 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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