[(E)-(2-oxo-1-phenylindol-3-ylidene)amino] cyclopropanecarboxylate
Formula:C18H14N2O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-(2-oxo-1-phenylindol-3-ylidene)amino] cyclopropanecarboxylate is a drug-like molecule.
| MolName | [(E)-(2-oxo-1-phenylindol-3-ylidene)amino] cyclopropanecarboxylate |
| MolecularFormula | C18H14N2O3 |
| Smiles | O=C(C1CC1)O/N=C(\c(cccc1)c1N1c2ccccc2)/C1=O |
| InChI | InChI=1S/C18H14N2O3/c21-17-16(19-23-18(22)12-10-11-12)14-8-4-5-9-15(14)20(17)13-6-2-1-3-7-13/h1-9,12H,10-11H2 |
| InChIK | KQJYRGUCGGJASS-UHFFFAOYSA-N |
| TotalMolweight | 306.32 |
| Molweight | 306.32 |
| MonoisotopicMass | 306.100443 |
| CLogP | 3.5924 |
| CLogS | -5.361 |
| H Acceptors | 5 |
| TotalSurfaceArea | 224.81 |
| Relative PSA | 0.22748 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | 1.5717 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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