(E)-3-[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid
Formula:C24H24N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid |
| MolecularFormula | C24H24N2O2 |
| Smiles | OC(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(C2CCCCC2)cc1)=O |
| InChI | InChI=1S/C24H24N2O2/c27-23(28)16-15-21-17-26(22-9-5-2-6-10-22)25-24(21)20-13-11-19(12-14-20)18-7-3-1-4-8-18/h2,5-6,9-18H,1,3-4,7-8H2,(H,27,28) |
| InChIK | PPSQPHBZQDBWHU-UHFFFAOYSA-N |
| TotalMolweight | 372.467 |
| Molweight | 372.467 |
| MonoisotopicMass | 372.183778 |
| CLogP | 4.5297 |
| CLogS | -5.279 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 299.14 |
| Relative PSA | 0.14702 |
| PolarSurfaceArea | 55.12 |
| Druglikeness | -1.4113 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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