[(E)-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 3-(trifluoromethyl)benzoate
Formula:C23H13N2O3Cl2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 3-(trifluoromethyl)benzoate is not a drug-like molecule.
| MolName | [(E)-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 3-(trifluoromethyl)benzoate |
| MolecularFormula | C23H13N2O3Cl2F3 |
| Smiles | O=C(c1cc(C(F)(F)F)ccc1)O/N=C(\c(cccc1)c1N1Cc(c(Cl)ccc2)c2Cl)/C1=O |
| InChI | InChI=1S/C23H13Cl2F3N2O3/c24-17-8-4-9-18(25)16(17)12-30-19-10-2-1-7-15(19)20(21(30)31)29-33-22(32)13-5-3-6-14(11-13)23(26,27)28/h1-11H,12H2 |
| InChIK | INCVBPGLOQVBDS-UHFFFAOYSA-N |
| TotalMolweight | 493.267 |
| Molweight | 493.267 |
| MonoisotopicMass | 492.025531 |
| CLogP | 6.38 |
| CLogS | -7.568 |
| H Acceptors | 5 |
| TotalSurfaceArea | 332.11 |
| Relative PSA | 0.15399 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | -5.2176 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 3-(trifluoromethyl)benzoate | 2 - [(E)-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 3-(trifluoromethyl)benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off