5,6-dihydro-4H-fluoranthen-6a-ol
Formula:C16H14O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
5,6-dihydro-4H-fluoranthen-6a-ol is a drug-like molecule.
| MolName | 5,6-dihydro-4H-fluoranthen-6a-ol |
| MolecularFormula | C16H14O |
| Smiles | OC1(CCC2)c3c2cccc3-c2c1cccc2 |
| InChI | InChI=1S/C16H14O/c17-16-10-4-6-11-5-3-8-13(15(11)16)12-7-1-2-9-14(12)16/h1-3,5,7-9,17H,4,6,10H2/t16-/m0/s1 |
| InChIK | OVSQBVKUKPDWKD-INIZCTEOSA-N |
| TotalMolweight | 222.286 |
| Molweight | 222.286 |
| MonoisotopicMass | 222.104465 |
| CLogP | 3.36 |
| CLogS | -4.449 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 164.06 |
| Relative PSA | 0.079849 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -3.2568 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41176 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| StereoCon | racemate |
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