(2E)-2-benzylidene-1H-acenaphthylen-1-ol
Formula:C19H14O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(2E)-2-benzylidene-1H-acenaphthylen-1-ol is a drug-like molecule.
| MolName | (2E)-2-benzylidene-1H-acenaphthylen-1-ol |
| MolecularFormula | C19H14O |
| Smiles | OC(/C1=C/c2ccccc2)c2cccc3cccc1c23 |
| InChI | InChI=1S/C19H14O/c20-19-16-11-5-9-14-8-4-10-15(18(14)16)17(19)12-13-6-2-1-3-7-13/h1-12,19-20H/t19-/m1/s1 |
| InChIK | BSTYSUHJHMRIIH-LJQANCHMSA-N |
| TotalMolweight | 258.319 |
| Molweight | 258.319 |
| MonoisotopicMass | 258.104465 |
| CLogP | 4.0976 |
| CLogS | -4.588 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 197.68 |
| Relative PSA | 0.066269 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -0.051134 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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