3-[(E)-2-cinnolin-4-ylethenyl]phenol
Formula:C16H12N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-2-cinnolin-4-ylethenyl]phenol is a drug-like molecule.
| MolName | 3-[(E)-2-cinnolin-4-ylethenyl]phenol |
| MolecularFormula | C16H12N2O |
| Smiles | Oc1cc(/C=C/c2cnnc3ccccc23)ccc1 |
| InChI | InChI=1S/C16H12N2O/c19-14-5-3-4-12(10-14)8-9-13-11-17-18-16-7-2-1-6-15(13)16/h1-11,19H |
| InChIK | XHLANLCYFIVMDA-UHFFFAOYSA-N |
| TotalMolweight | 248.284 |
| Molweight | 248.284 |
| MonoisotopicMass | 248.094963 |
| CLogP | 3.008 |
| CLogS | -3.711 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 197.99 |
| Relative PSA | 0.17698 |
| PolarSurfaceArea | 46.01 |
| Druglikeness | -1.399 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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