(2Z)-2-(hydroxymethylidene)-3,4-dihydrophenanthren-1-one
Formula:C15H12O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2Z)-2-(hydroxymethylidene)-3,4-dihydrophenanthren-1-one is a drug-like molecule.
| MolName | (2Z)-2-(hydroxymethylidene)-3,4-dihydrophenanthren-1-one |
| MolecularFormula | C15H12O2 |
| Smiles | O/C=C(/CCc1c2ccc3ccccc13)\C2=O |
| InChI | InChI=1S/C15H12O2/c16-9-11-6-7-13-12-4-2-1-3-10(12)5-8-14(13)15(11)17/h1-5,8-9,16H,6-7H2 |
| InChIK | KGCCQEWRQOUVEL-UHFFFAOYSA-N |
| TotalMolweight | 224.258 |
| Molweight | 224.258 |
| MonoisotopicMass | 224.08373 |
| CLogP | 2.7155 |
| CLogS | -4.336 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 170.69 |
| Relative PSA | 0.15314 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -0.5 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| StereoCon |
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