(3Z)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
Formula:C12H9N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one |
| MolecularFormula | C12H9N3O |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c1cnc[nH]1 |
| InChI | InChI=1S/C12H9N3O/c16-12-10(5-8-6-13-7-14-8)9-3-1-2-4-11(9)15-12/h1-7H,(H,13,14)(H,15,16) |
| InChIK | VEEGZPWAAPPXRB-UHFFFAOYSA-N |
| TotalMolweight | 211.223 |
| Molweight | 211.223 |
| MonoisotopicMass | 211.074562 |
| CLogP | 0.4799 |
| CLogS | -2.208 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 161.77 |
| Relative PSA | 0.30574 |
| PolarSurfaceArea | 57.78 |
| Druglikeness | 3.4065 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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