(3Z)-3-[(4-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one
Formula:C15H10N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3Z)-3-[(4-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[(4-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one |
| MolecularFormula | C15H10N2O4 |
| Smiles | [O-][N+](c(cc(/C=C(/c(cccc1)c1N1)\C1=O)cc1)c1O)=O |
| InChI | InChI=1S/C15H10N2O4/c18-14-6-5-9(8-13(14)17(20)21)7-11-10-3-1-2-4-12(10)16-15(11)19/h1-8,18H,(H,16,19) |
| InChIK | DSBYPNVFRAFCAS-UHFFFAOYSA-N |
| TotalMolweight | 282.254 |
| Molweight | 282.254 |
| MonoisotopicMass | 282.064058 |
| CLogP | 0.9984 |
| CLogS | -3.533 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 203.46 |
| Relative PSA | 0.33432 |
| PolarSurfaceArea | 95.15 |
| Druglikeness | -2.4135 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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