(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
Formula:C18H12N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate |
| MolecularFormula | C18H12N2O2Cl |
| Smiles | [O-]C(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C18H13ClN2O2/c19-15-9-6-13(7-10-15)18-14(8-11-17(22)23)12-21(20-18)16-4-2-1-3-5-16/h1-12H,(H,22,23)/p-1 |
| InChIK | HMIZBFXFFBXNEB-UHFFFAOYSA-M |
| TotalMolweight | 323.758 |
| Molweight | 323.758 |
| MonoisotopicMass | 323.05873 |
| CLogP | 0.9229 |
| CLogS | -4.248 |
| H Acceptors | 4 |
| TotalSurfaceArea | 247.94 |
| Relative PSA | 0.18214 |
| PolarSurfaceArea | 57.95 |
| Druglikeness | 3.0552 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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