2-[(6E)-6-benzylidene-4,5-dihydrocyclopenta[c]pyrazol-1-yl]ethanol
Formula:C15H16N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(6E)-6-benzylidene-4,5-dihydrocyclopenta[c]pyrazol-1-yl]ethanol is a drug-like molecule.
| MolName | 2-[(6E)-6-benzylidene-4,5-dihydrocyclopenta[c]pyrazol-1-yl]ethanol |
| MolecularFormula | C15H16N2O |
| Smiles | OCCn1ncc(CC2)c1/C2=C/c1ccccc1 |
| InChI | InChI=1S/C15H16N2O/c18-9-8-17-15-13(6-7-14(15)11-16-17)10-12-4-2-1-3-5-12/h1-5,10-11,18H,6-9H2 |
| InChIK | PQCZRBGFOSRPEK-UHFFFAOYSA-N |
| TotalMolweight | 240.305 |
| Molweight | 240.305 |
| MonoisotopicMass | 240.126263 |
| CLogP | 1.4168 |
| CLogS | -2.089 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 193.58 |
| Relative PSA | 0.15983 |
| PolarSurfaceArea | 38.05 |
| Druglikeness | 3.5338 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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