N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide
Formula:C20H15N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide |
| MolecularFormula | C20H15N2OClS |
| Smiles | O=C(c1ccccc1)N/N=C\c(cc1)ccc1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C20H15ClN2OS/c21-17-8-12-19(13-9-17)25-18-10-6-15(7-11-18)14-22-23-20(24)16-4-2-1-3-5-16/h1-14H,(H,23,24) |
| InChIK | AFSMRUNLKNMEEQ-UHFFFAOYSA-N |
| TotalMolweight | 366.871 |
| Molweight | 366.871 |
| MonoisotopicMass | 366.05936 |
| CLogP | 5.6287 |
| CLogS | -6.243 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 279.66 |
| Relative PSA | 0.1913 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 4.6785 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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