(3E)-6-chloro-3-(naphthalen-1-ylmethylidene)-1H-indol-2-one
Formula:C19H12NOCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(3E)-6-chloro-3-(naphthalen-1-ylmethylidene)-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-6-chloro-3-(naphthalen-1-ylmethylidene)-1H-indol-2-one |
| MolecularFormula | C19H12NOCl |
| Smiles | O=C1Nc(cc(cc2)Cl)c2/C1=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C19H12ClNO/c20-14-8-9-16-17(19(22)21-18(16)11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H,(H,21,22) |
| InChIK | FHSNUWRICMCRBO-UHFFFAOYSA-N |
| TotalMolweight | 305.763 |
| Molweight | 305.763 |
| MonoisotopicMass | 305.060741 |
| CLogP | 4.0661 |
| CLogS | -5.711 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 223.46 |
| Relative PSA | 0.10964 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 2.7491 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Amides | 1 |
| StereoCon |
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