S-(4-chlorophenyl) N-[(E)-2-thiophen-3-ylethenyl]carbamothioate
Formula:C13H10NOClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
S-(4-chlorophenyl) N-[(E)-2-thiophen-3-ylethenyl]carbamothioate is a drug-like molecule.
| MolName | S-(4-chlorophenyl) N-[(E)-2-thiophen-3-ylethenyl]carbamothioate |
| MolecularFormula | C13H10NOClS2 |
| Smiles | O=C(N/C=C/c1cscc1)Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C13H10ClNOS2/c14-11-1-3-12(4-2-11)18-13(16)15-7-5-10-6-8-17-9-10/h1-9H,(H,15,16) |
| InChIK | MPQBXTIXOPZIAQ-UHFFFAOYSA-N |
| TotalMolweight | 295.813 |
| Molweight | 295.813 |
| MonoisotopicMass | 294.989231 |
| CLogP | 3.8938 |
| CLogS | -5.254 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 217.58 |
| Relative PSA | 0.28656 |
| PolarSurfaceArea | 82.64 |
| Druglikeness | 0.772 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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