[(Z)-(2-oxo-1-phenylindol-3-ylidene)amino] 2-chloroacetate
Formula:C16H11N2O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(Z)-(2-oxo-1-phenylindol-3-ylidene)amino] 2-chloroacetate is a drug-like molecule.
| MolName | [(Z)-(2-oxo-1-phenylindol-3-ylidene)amino] 2-chloroacetate |
| MolecularFormula | C16H11N2O3Cl |
| Smiles | O=C(CCl)O/N=C(/c(cccc1)c1N1c2ccccc2)\C1=O |
| InChI | InChI=1S/C16H11ClN2O3/c17-10-14(20)22-18-15-12-8-4-5-9-13(12)19(16(15)21)11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIK | QRYTVZDLNNPAEK-UHFFFAOYSA-N |
| TotalMolweight | 314.727 |
| Molweight | 314.727 |
| MonoisotopicMass | 314.04582 |
| CLogP | 3.5036 |
| CLogS | -5.246 |
| H Acceptors | 5 |
| TotalSurfaceArea | 227.47 |
| Relative PSA | 0.22482 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | -0.48412 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [(Z)-(2-oxo-1-phenylindol-3-ylidene)amino] 2-chloroacetate | 2 - [(Z)-(2-oxo-1-phenylindol-3-ylidene)amino] 2-chloroacetate
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