(3Z)-3-(quinolin-4-ylmethylidene)-1H-indol-2-one
Formula:C18H12N2O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(3Z)-3-(quinolin-4-ylmethylidene)-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-(quinolin-4-ylmethylidene)-1H-indol-2-one |
| MolecularFormula | C18H12N2O |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c1ccnc2ccccc12 |
| InChI | InChI=1S/C18H12N2O/c21-18-15(14-6-2-4-8-17(14)20-18)11-12-9-10-19-16-7-3-1-5-13(12)16/h1-11H,(H,20,21) |
| InChIK | UBEIHUVCYODJRE-UHFFFAOYSA-N |
| TotalMolweight | 272.306 |
| Molweight | 272.306 |
| MonoisotopicMass | 272.094963 |
| CLogP | 2.5817 |
| CLogS | -4.075 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 206.8 |
| Relative PSA | 0.17152 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | 2.702 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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