3-chloro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1-benzothiophene-2-carboxamide
Formula:C17H10N2OClF3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1-benzothiophene-2-carboxamide is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1-benzothiophene-2-carboxamide |
| MolecularFormula | C17H10N2OClF3S |
| Smiles | O=C(c(sc1c2cccc1)c2Cl)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C17H10ClF3N2OS/c18-14-11-6-2-4-8-13(11)25-15(14)16(24)23-22-9-10-5-1-3-7-12(10)17(19,20)21/h1-9H,(H,23,24) |
| InChIK | KROHICIHCRHVQK-UHFFFAOYSA-N |
| TotalMolweight | 382.792 |
| Molweight | 382.792 |
| MonoisotopicMass | 382.015444 |
| CLogP | 5.5771 |
| CLogS | -6.584 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 262.41 |
| Relative PSA | 0.21482 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | -1.5887 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-chloro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1-benzothiophene-2-carboxamide | 2 - 3-chloro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1-benzothiophene-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off