[(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 2,4-dichlorobenzoate
Formula:C23H13N2O3Cl2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 2,4-dichlorobenzoate |
| MolecularFormula | C23H13N2O3Cl2F3 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)O/N=C(\c(cccc1)c1N1Cc2cc(C(F)(F)F)ccc2)/C1=O |
| InChI | InChI=1S/C23H13Cl2F3N2O3/c24-15-8-9-16(18(25)11-15)22(32)33-29-20-17-6-1-2-7-19(17)30(21(20)31)12-13-4-3-5-14(10-13)23(26,27)28/h1-11H,12H2 |
| InChIK | OHAUXBKPCLEXEQ-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 | low |
| Nasty Functions | |
| Shape Index | 0.51515 |
| 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 | 2 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 2,4-dichlorobenzoate | 2 - [(E)-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 2,4-dichlorobenzoate
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