(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate
Formula:C18H13N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate |
| MolecularFormula | C18H13N2O2 |
| Smiles | [O-]C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)=O |
| InChI | InChI=1S/C18H14N2O2/c21-17(22)12-11-15-13-20(16-9-5-2-6-10-16)19-18(15)14-7-3-1-4-8-14/h1-13H,(H,21,22)/p-1 |
| InChIK | QWPUNBPIUCTWSD-UHFFFAOYSA-M |
| TotalMolweight | 289.313 |
| Molweight | 289.313 |
| MonoisotopicMass | 289.097703 |
| CLogP | 0.3169 |
| CLogS | -3.512 |
| H Acceptors | 4 |
| TotalSurfaceArea | 232.52 |
| Relative PSA | 0.19422 |
| PolarSurfaceArea | 57.95 |
| Druglikeness | 3.0045 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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