[(E)-[5-chloro-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 4-chlorobutanoate
Formula:C20H15N2O3Cl2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[5-chloro-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 4-chlorobutanoate is not a drug-like molecule.
| MolName | [(E)-[5-chloro-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 4-chlorobutanoate |
| MolecularFormula | C20H15N2O3Cl2F3 |
| Smiles | O=C(CCCCl)O/N=C(\c(cc(cc1)Cl)c1N1Cc2cc(C(F)(F)F)ccc2)/C1=O |
| InChI | InChI=1S/C20H15Cl2F3N2O3/c21-8-2-5-17(28)30-26-18-15-10-14(22)6-7-16(15)27(19(18)29)11-12-3-1-4-13(9-12)20(23,24)25/h1,3-4,6-7,9-10H,2,5,8,11H2 |
| InChIK | QFUWPCOPBDGUBK-UHFFFAOYSA-N |
| TotalMolweight | 459.25 |
| Molweight | 459.25 |
| MonoisotopicMass | 458.041181 |
| CLogP | 5.4683 |
| CLogS | -6.603 |
| H Acceptors | 5 |
| TotalSurfaceArea | 313.63 |
| Relative PSA | 0.16306 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | -13.235 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[5-chloro-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 4-chlorobutanoate | 2 - [(E)-[5-chloro-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-ylidene]amino] 4-chlorobutanoate
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