(E)-3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-1-(4-phenylphenyl)prop-2-en-1-one
Formula:C30H24N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-1-(4-phenylphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-1-(4-phenylphenyl)prop-2-en-1-one |
| MolecularFormula | C30H24N2O |
| Smiles | O=C(/C=C/C(CC1c2ccccc2)=NN1c1ccccc1)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C30H24N2O/c33-30(26-18-16-24(17-19-26)23-10-4-1-5-11-23)21-20-27-22-29(25-12-6-2-7-13-25)32(31-27)28-14-8-3-9-15-28/h1-21,29H,22H2/t29-/m1/s1 |
| InChIK | KIFCNWJRTXNGKJ-GDLZYMKVSA-N |
| TotalMolweight | 428.534 |
| Molweight | 428.534 |
| MonoisotopicMass | 428.188863 |
| CLogP | 6.7684 |
| CLogS | -6.869 |
| H Acceptors | 3 |
| TotalSurfaceArea | 342.82 |
| Relative PSA | 0.081967 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 3.5396 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| 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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