(E)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
Formula:C35H25N2O2F3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one |
| MolecularFormula | C35H25N2O2F3 |
| Smiles | O=C(/C=C/c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 |
| InChI | InChI=1S/C35H25F3N2O2/c36-35(37,38)28-13-7-12-27(22-28)33-20-21-34(42-33)32(41)19-16-24-14-17-29(18-15-24)40-31(26-10-5-2-6-11-26)23-30(39-40)25-8-3-1-4-9-25/h1-22,31H,23H2/t31-/m0/s1 |
| InChIK | OACOOSXJOURLKF-HKBQPEDESA-N |
| TotalMolweight | 562.59 |
| Molweight | 562.59 |
| MonoisotopicMass | 562.186812 |
| CLogP | 8.5534 |
| CLogS | -9.011 |
| H Acceptors | 4 |
| TotalSurfaceArea | 421.73 |
| Relative PSA | 0.10009 |
| PolarSurfaceArea | 45.81 |
| Druglikeness | -2.2926 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon | racemate |
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1 - (E)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one | 2 - (E)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
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