4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzaldehyde
Formula:C24H20N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzaldehyde is not a drug-like molecule.
| MolName | 4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzaldehyde |
| MolecularFormula | C24H20N2O |
| Smiles | O=Cc(cc1)ccc1N(C(C1)c2ccccc2)N=C1/C=C/c1ccccc1 |
| InChI | InChI=1S/C24H20N2O/c27-18-20-12-15-23(16-13-20)26-24(21-9-5-2-6-10-21)17-22(25-26)14-11-19-7-3-1-4-8-19/h1-16,18,24H,17H2/t24-/m0/s1 |
| InChIK | BBAMTOWFQNMORA-DEOSSOPVSA-N |
| TotalMolweight | 352.436 |
| Molweight | 352.436 |
| MonoisotopicMass | 352.157563 |
| CLogP | 5.6053 |
| CLogS | -5.019 |
| H Acceptors | 3 |
| TotalSurfaceArea | 284.85 |
| Relative PSA | 0.098648 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 0.6297 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon | racemate |
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