[(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate
Formula:C21H13N2O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate |
| MolecularFormula | C21H13N2O3Cl |
| Smiles | O=C(c(cc1)ccc1Cl)O/N=C(\c(cccc1)c1N1c2ccccc2)/C1=O |
| InChI | InChI=1S/C21H13ClN2O3/c22-15-12-10-14(11-13-15)21(26)27-23-19-17-8-4-5-9-18(17)24(20(19)25)16-6-2-1-3-7-16/h1-13H |
| InChIK | FGAWOQVKYFCVJW-UHFFFAOYSA-N |
| TotalMolweight | 376.798 |
| Molweight | 376.798 |
| MonoisotopicMass | 376.06147 |
| CLogP | 5.3241 |
| CLogS | -6.751 |
| H Acceptors | 5 |
| TotalSurfaceArea | 273.47 |
| Relative PSA | 0.187 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | 0.88311 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate | 2 - [(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate
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