3-chloro-N-[(Z)-(3-oxocyclohexylidene)amino]-1-benzothiophene-2-carboxamide
Formula:C15H13N2O2ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-(3-oxocyclohexylidene)amino]-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-(3-oxocyclohexylidene)amino]-1-benzothiophene-2-carboxamide |
| MolecularFormula | C15H13N2O2ClS |
| Smiles | O=C(c(sc1c2cccc1)c2Cl)N/N=C(/CCC1)\CC1=O |
| InChI | InChI=1S/C15H13ClN2O2S/c16-13-11-6-1-2-7-12(11)21-14(13)15(20)18-17-9-4-3-5-10(19)8-9/h1-2,6-7H,3-5,8H2,(H,18,20) |
| InChIK | MQBSUZPJFAIHML-UHFFFAOYSA-N |
| TotalMolweight | 320.799 |
| Molweight | 320.799 |
| MonoisotopicMass | 320.038625 |
| CLogP | 3.7711 |
| CLogS | -5.32 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 230.69 |
| Relative PSA | 0.30088 |
| PolarSurfaceArea | 86.77 |
| Druglikeness | 0.41978 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; 3-halo-enone |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 4 |
| StereoCon |
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