[(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 4-chlorobenzoate
Formula:C23H14N2O3ClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 4-chlorobenzoate |
| MolecularFormula | C23H14N2O3ClF3 |
| Smiles | O=C(c(cc1)ccc1Cl)O/N=C(\c(cccc1)c1N1Cc2cc(C(F)(F)F)ccc2)/C1=O |
| InChI | InChI=1S/C23H14ClF3N2O3/c24-17-10-8-15(9-11-17)22(31)32-28-20-18-6-1-2-7-19(18)29(21(20)30)13-14-4-3-5-16(12-14)23(25,26)27/h1-12H,13H2 |
| InChIK | OPEULGPEXWMZPF-UHFFFAOYSA-N |
| TotalMolweight | 458.822 |
| Molweight | 458.822 |
| MonoisotopicMass | 458.064504 |
| CLogP | 5.774 |
| CLogS | -6.832 |
| H Acceptors | 5 |
| TotalSurfaceArea | 316.69 |
| Relative PSA | 0.16148 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | -5.2176 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 4-chlorobenzoate | 2 - [(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 4-chlorobenzoate
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