2-[(6Z)-6-benzylidene-3-(trifluoromethyl)-4,5-dihydrocyclopenta[c]pyrazol-2-yl]ethanol
Formula:C16H15N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(6Z)-6-benzylidene-3-(trifluoromethyl)-4,5-dihydrocyclopenta[c]pyrazol-2-yl]ethanol is a drug-like molecule.
| MolName | 2-[(6Z)-6-benzylidene-3-(trifluoromethyl)-4,5-dihydrocyclopenta[c]pyrazol-2-yl]ethanol |
| MolecularFormula | C16H15N2OF3 |
| Smiles | OCCn1nc(/C(/CC2)=C\c3ccccc3)c2c1C(F)(F)F |
| InChI | InChI=1S/C16H15F3N2O/c17-16(18,19)15-13-7-6-12(10-11-4-2-1-3-5-11)14(13)20-21(15)8-9-22/h1-5,10,22H,6-9H2 |
| InChIK | UCSQNGNJKBHNEX-UHFFFAOYSA-N |
| TotalMolweight | 308.302 |
| Molweight | 308.302 |
| MonoisotopicMass | 308.113647 |
| CLogP | 2.3191 |
| CLogS | -2.891 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 223.04 |
| Relative PSA | 0.13872 |
| PolarSurfaceArea | 38.05 |
| Druglikeness | -4.2836 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[(6Z)-6-benzylidene-3-(trifluoromethyl)-4,5-dihydrocyclopenta[c]pyrazol-2-yl]ethanol | 2 - 2-[(6Z)-6-benzylidene-3-(trifluoromethyl)-4,5-dihydrocyclopenta[c]pyrazol-2-yl]ethanol
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