(4Z)-4-[(2-chlorophenyl)methylidene]-1-sulfanylideneisoquinolin-3-one
Formula:C16H10NOClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(4Z)-4-[(2-chlorophenyl)methylidene]-1-sulfanylideneisoquinolin-3-one is a drug-like molecule.
| MolName | (4Z)-4-[(2-chlorophenyl)methylidene]-1-sulfanylideneisoquinolin-3-one |
| MolecularFormula | C16H10NOClS |
| Smiles | O=C(/C(/c1c2cccc1)=C\c(cccc1)c1Cl)NC2=S |
| InChI | InChI=1S/C16H10ClNOS/c17-14-8-4-1-5-10(14)9-13-11-6-2-3-7-12(11)16(20)18-15(13)19/h1-9H,(H,18,19,20) |
| InChIK | JSDNVDLPJGSGEC-UHFFFAOYSA-N |
| TotalMolweight | 299.78 |
| Molweight | 299.78 |
| MonoisotopicMass | 299.017161 |
| CLogP | 3.1624 |
| CLogS | -3.98 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 221.57 |
| Relative PSA | 0.23695 |
| PolarSurfaceArea | 61.19 |
| Druglikeness | 3.0577 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (4Z)-4-[(2-chlorophenyl)methylidene]-1-sulfanylideneisoquinolin-3-one | 2 - (4Z)-4-[(2-chlorophenyl)methylidene]-1-sulfanylideneisoquinolin-3-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off