(E)-N-[2-[1-(4-chlorophenyl)pyrazol-4-yl]phenyl]-3-phenylprop-2-enamide
Formula:C24H18N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-[1-(4-chlorophenyl)pyrazol-4-yl]phenyl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-[1-(4-chlorophenyl)pyrazol-4-yl]phenyl]-3-phenylprop-2-enamide |
| MolecularFormula | C24H18N3OCl |
| Smiles | O=C(/C=C/c1ccccc1)Nc(cccc1)c1-c1cn(-c(cc2)ccc2Cl)nc1 |
| InChI | InChI=1S/C24H18ClN3O/c25-20-11-13-21(14-12-20)28-17-19(16-26-28)22-8-4-5-9-23(22)27-24(29)15-10-18-6-2-1-3-7-18/h1-17H,(H,27,29) |
| InChIK | ADEUMOYSBQYBEP-UHFFFAOYSA-N |
| TotalMolweight | 399.88 |
| Molweight | 399.88 |
| MonoisotopicMass | 399.113839 |
| CLogP | 4.5703 |
| CLogS | -6.055 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 311.63 |
| Relative PSA | 0.13587 |
| PolarSurfaceArea | 46.92 |
| Druglikeness | 2.9935 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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