3-hydroxy-3-[(2E)-2-hydroxyimino-2-phenylethyl]-1H-indol-2-one
Formula:C16H14N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-3-[(2E)-2-hydroxyimino-2-phenylethyl]-1H-indol-2-one is a drug-like molecule.
| MolName | 3-hydroxy-3-[(2E)-2-hydroxyimino-2-phenylethyl]-1H-indol-2-one |
| MolecularFormula | C16H14N2O3 |
| Smiles | OC(C/C(/c1ccccc1)=N\O)(c(cccc1)c1N1)C1=O |
| InChI | InChI=1S/C16H14N2O3/c19-15-16(20,12-8-4-5-9-13(12)17-15)10-14(18-21)11-6-2-1-3-7-11/h1-9,20-21H,10H2,(H,17,19)/t16-/m0/s1 |
| InChIK | IWJVRVUHUSZENV-INIZCTEOSA-N |
| TotalMolweight | 282.298 |
| Molweight | 282.298 |
| MonoisotopicMass | 282.100443 |
| CLogP | 2.0649 |
| CLogS | -3.834 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 208.57 |
| Relative PSA | 0.29827 |
| PolarSurfaceArea | 81.92 |
| Druglikeness | 2.9012 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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