4-chloro-N-[4-[(Z)-1-cyano-2-thiophen-2-ylethenyl]phenyl]benzamide
Formula:C20H13N2OClS
Mutagenic:low
Tumorigenic:high
Reproductive Effective:low
4-chloro-N-[4-[(Z)-1-cyano-2-thiophen-2-ylethenyl]phenyl]benzamide is a drug-like molecule.
| MolName | 4-chloro-N-[4-[(Z)-1-cyano-2-thiophen-2-ylethenyl]phenyl]benzamide |
| MolecularFormula | C20H13N2OClS |
| Smiles | N#C/C(/c(cc1)ccc1NC(c(cc1)ccc1Cl)=O)=C\c1cccs1 |
| InChI | InChI=1S/C20H13ClN2OS/c21-17-7-3-15(4-8-17)20(24)23-18-9-5-14(6-10-18)16(13-22)12-19-2-1-11-25-19/h1-12H,(H,23,24) |
| InChIK | DUCBOBRWJSYMDS-UHFFFAOYSA-N |
| TotalMolweight | 364.855 |
| Molweight | 364.855 |
| MonoisotopicMass | 364.04371 |
| CLogP | 4.9527 |
| CLogS | -5.887 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 279.77 |
| Relative PSA | 0.20881 |
| PolarSurfaceArea | 81.13 |
| Druglikeness | -1.1812 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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