(3E)-3-[(3,4-dichlorophenyl)methylidene]-2-oxo-N-phenylcyclopentane-1-carbothioamide
Formula:C19H15NOCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(3,4-dichlorophenyl)methylidene]-2-oxo-N-phenylcyclopentane-1-carbothioamide is not a drug-like molecule.
| MolName | (3E)-3-[(3,4-dichlorophenyl)methylidene]-2-oxo-N-phenylcyclopentane-1-carbothioamide |
| MolecularFormula | C19H15NOCl2S |
| Smiles | O=C(C(CC1)C(Nc2ccccc2)=S)/C1=C/c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C19H15Cl2NOS/c20-16-9-6-12(11-17(16)21)10-13-7-8-15(18(13)23)19(24)22-14-4-2-1-3-5-14/h1-6,9-11,15H,7-8H2,(H,22,24)/t15-/m0/s1 |
| InChIK | LAMYHZVECPDFNF-HNNXBMFYSA-N |
| TotalMolweight | 376.306 |
| Molweight | 376.306 |
| MonoisotopicMass | 375.025138 |
| CLogP | 5.0892 |
| CLogS | -6.469 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 277.01 |
| Relative PSA | 0.18952 |
| PolarSurfaceArea | 61.19 |
| Druglikeness | 0.573 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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