[(E)-(2-oxo-1-phenylindol-3-ylidene)amino] N-[3-(trifluoromethyl)phenyl]carbamate
Formula:C22H14N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-(2-oxo-1-phenylindol-3-ylidene)amino] N-[3-(trifluoromethyl)phenyl]carbamate is not a drug-like molecule.
| MolName | [(E)-(2-oxo-1-phenylindol-3-ylidene)amino] N-[3-(trifluoromethyl)phenyl]carbamate |
| MolecularFormula | C22H14N3O3F3 |
| Smiles | O=C(Nc1cccc(C(F)(F)F)c1)O/N=C(\c(cccc1)c1N1c2ccccc2)/C1=O |
| InChI | InChI=1S/C22H14F3N3O3/c23-22(24,25)14-7-6-8-15(13-14)26-21(30)31-27-19-17-11-4-5-12-18(17)28(20(19)29)16-9-2-1-3-10-16/h1-13H,(H,26,30) |
| InChIK | HBGORJIVUCTXSL-UHFFFAOYSA-N |
| TotalMolweight | 425.365 |
| Molweight | 425.365 |
| MonoisotopicMass | 425.098726 |
| CLogP | 5.5603 |
| CLogS | -7.309 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 298.97 |
| Relative PSA | 0.20939 |
| PolarSurfaceArea | 71 |
| Druglikeness | -9.7698 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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