phenyl (2Z)-2-cyano-2-(5H-phenanthridin-6-ylidene)acetate
Formula:C22H14N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
phenyl (2Z)-2-cyano-2-(5H-phenanthridin-6-ylidene)acetate is a drug-like molecule.
| MolName | phenyl (2Z)-2-cyano-2-(5H-phenanthridin-6-ylidene)acetate |
| MolecularFormula | C22H14N2O2 |
| Smiles | N#C/C(/C(Oc1ccccc1)=O)=C1/Nc(cccc2)c2-c2c1cccc2 |
| InChI | InChI=1S/C22H14N2O2/c23-14-19(22(25)26-15-8-2-1-3-9-15)21-18-12-5-4-10-16(18)17-11-6-7-13-20(17)24-21/h1-13,24H |
| InChIK | JAZFPSGYOJDBDQ-UHFFFAOYSA-N |
| TotalMolweight | 338.365 |
| Molweight | 338.365 |
| MonoisotopicMass | 338.105528 |
| CLogP | 4.2702 |
| CLogS | -5.76 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 263.12 |
| Relative PSA | 0.18265 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -3.4645 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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