2-[(6E)-6-[(4-chlorophenyl)methylidene]-4,5-dihydrocyclopenta[c]pyrazol-1-yl]ethanol
Formula:C15H15N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(6E)-6-[(4-chlorophenyl)methylidene]-4,5-dihydrocyclopenta[c]pyrazol-1-yl]ethanol is a drug-like molecule.
| MolName | 2-[(6E)-6-[(4-chlorophenyl)methylidene]-4,5-dihydrocyclopenta[c]pyrazol-1-yl]ethanol |
| MolecularFormula | C15H15N2OCl |
| Smiles | OCCn1ncc(CC2)c1/C2=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H15ClN2O/c16-14-5-1-11(2-6-14)9-12-3-4-13-10-17-18(7-8-19)15(12)13/h1-2,5-6,9-10,19H,3-4,7-8H2 |
| InChIK | DXMLEFBWLTVWSL-UHFFFAOYSA-N |
| TotalMolweight | 274.75 |
| Molweight | 274.75 |
| MonoisotopicMass | 274.08729 |
| CLogP | 2.0228 |
| CLogS | -2.825 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 209 |
| Relative PSA | 0.14804 |
| PolarSurfaceArea | 38.05 |
| Druglikeness | 3.5614 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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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1 - 2-[(6E)-6-[(4-chlorophenyl)methylidene]-4,5-dihydrocyclopenta[c]pyrazol-1-yl]ethanol | 2 - 2-[(6E)-6-[(4-chlorophenyl)methylidene]-4,5-dihydrocyclopenta[c]pyrazol-1-yl]ethanol
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