(3E)-3-[(4-nitrophenyl)methylidene]-1H-indol-2-one
Formula:C15H10N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3E)-3-[(4-nitrophenyl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-[(4-nitrophenyl)methylidene]-1H-indol-2-one |
| MolecularFormula | C15H10N2O3 |
| Smiles | [O-][N+](c1ccc(/C=C(\c(cccc2)c2N2)/C2=O)cc1)=O |
| InChI | InChI=1S/C15H10N2O3/c18-15-13(12-3-1-2-4-14(12)16-15)9-10-5-7-11(8-6-10)17(19)20/h1-9H,(H,16,18) |
| InChIK | WPZSQSSOBHCYOZ-UHFFFAOYSA-N |
| TotalMolweight | 266.255 |
| Molweight | 266.255 |
| MonoisotopicMass | 266.069143 |
| CLogP | 1.3441 |
| CLogS | -3.829 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 197.11 |
| Relative PSA | 0.27863 |
| PolarSurfaceArea | 74.92 |
| Druglikeness | -2.4254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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