(3Z)-3-[(5-chloro-2-hydroxyphenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
Formula:C16H9NO2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3Z)-3-[(5-chloro-2-hydroxyphenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[(5-chloro-2-hydroxyphenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one |
| MolecularFormula | C16H9NO2ClF3 |
| Smiles | Oc(cc1)c(/C=C(/c(ccc(C(F)(F)F)c2)c2N2)\C2=O)cc1Cl |
| InChI | InChI=1S/C16H9ClF3NO2/c17-10-2-4-14(22)8(5-10)6-12-11-3-1-9(16(18,19)20)7-13(11)21-15(12)23/h1-7,22H,(H,21,23) |
| InChIK | ZTCLGWOPHBAXJC-UHFFFAOYSA-N |
| TotalMolweight | 339.699 |
| Molweight | 339.699 |
| MonoisotopicMass | 339.02739 |
| CLogP | 3.3743 |
| CLogS | -4.587 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 224.67 |
| Relative PSA | 0.16736 |
| PolarSurfaceArea | 49.33 |
| Druglikeness | -4.4402 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (3Z)-3-[(5-chloro-2-hydroxyphenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one | 2 - (3Z)-3-[(5-chloro-2-hydroxyphenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
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