[(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] cyclopropanecarboxylate
Formula:C20H15N2O3F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] cyclopropanecarboxylate is a drug-like molecule.
| MolName | [(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] cyclopropanecarboxylate |
| MolecularFormula | C20H15N2O3F3 |
| Smiles | O=C(C1CC1)O/N=C(\c(cccc1)c1N1Cc2cccc(C(F)(F)F)c2)/C1=O |
| InChI | InChI=1S/C20H15F3N2O3/c21-20(22,23)14-5-3-4-12(10-14)11-25-16-7-2-1-6-15(16)17(18(25)26)24-28-19(27)13-8-9-13/h1-7,10,13H,8-9,11H2 |
| InChIK | OGLICLBTBXDFEV-UHFFFAOYSA-N |
| TotalMolweight | 388.344 |
| Molweight | 388.344 |
| MonoisotopicMass | 388.103477 |
| CLogP | 4.0423 |
| CLogS | -5.442 |
| H Acceptors | 5 |
| TotalSurfaceArea | 268.03 |
| Relative PSA | 0.1908 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | -4.5851 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] cyclopropanecarboxylate | 2 - [(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] cyclopropanecarboxylate
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