(E)-3-[4-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]-1-(4-fluorophenyl)prop-2-en-1-one
Formula:C30H21N2OF3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-3-[4-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]-1-(4-fluorophenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[4-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]-1-(4-fluorophenyl)prop-2-en-1-one |
| MolecularFormula | C30H21N2OF3 |
| Smiles | O=C(/C=C/c(cc1)ccc1N(C(C1)c(cc2)ccc2F)N=C1c(cc1)ccc1F)c(cc1)ccc1F |
| InChI | InChI=1S/C30H21F3N2O/c31-24-10-4-21(5-11-24)28-19-29(22-6-12-25(32)13-7-22)35(34-28)27-16-1-20(2-17-27)3-18-30(36)23-8-14-26(33)15-9-23/h1-18,29H,19H2/t29-/m1/s1 |
| InChIK | ZTFMMUGDJVNHKI-GDLZYMKVSA-N |
| TotalMolweight | 482.504 |
| Molweight | 482.504 |
| MonoisotopicMass | 482.160597 |
| CLogP | 7.0686 |
| CLogS | -7.715 |
| H Acceptors | 3 |
| TotalSurfaceArea | 361.87 |
| Relative PSA | 0.077652 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 2.1996 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon | racemate |
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