(3Z)-3-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1H-indol-2-one
Formula:C15H9NO2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(3Z)-3-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1H-indol-2-one |
| MolecularFormula | C15H9NO2Cl2 |
| Smiles | Oc(c(/C=C(/c(cccc1)c1N1)\C1=O)cc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H9Cl2NO2/c16-9-5-8(14(19)12(17)7-9)6-11-10-3-1-2-4-13(10)18-15(11)20/h1-7,19H,(H,18,20) |
| InChIK | WIWCKDAYUCVYAQ-UHFFFAOYSA-N |
| TotalMolweight | 306.147 |
| Molweight | 306.147 |
| MonoisotopicMass | 305.001033 |
| CLogP | 3.132 |
| CLogS | -4.545 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 210.63 |
| Relative PSA | 0.17851 |
| PolarSurfaceArea | 49.33 |
| Druglikeness | 2.7498 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - (3Z)-3-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1H-indol-2-one | 2 - (3Z)-3-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1H-indol-2-one
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