(E)-N'-(2,2-diphenylacetyl)-3-thiophen-2-ylprop-2-enehydrazide
Formula:C21H18N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N'-(2,2-diphenylacetyl)-3-thiophen-2-ylprop-2-enehydrazide is a drug-like molecule.
| MolName | (E)-N'-(2,2-diphenylacetyl)-3-thiophen-2-ylprop-2-enehydrazide |
| MolecularFormula | C21H18N2O2S |
| Smiles | O=C(C(c1ccccc1)c1ccccc1)NNC(/C=C/c1cccs1)=O |
| InChI | InChI=1S/C21H18N2O2S/c24-19(14-13-18-12-7-15-26-18)22-23-21(25)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15,20H,(H,22,24)(H,23,25) |
| InChIK | QJINNBIWKHJBFN-UHFFFAOYSA-N |
| TotalMolweight | 362.452 |
| Molweight | 362.452 |
| MonoisotopicMass | 362.108898 |
| CLogP | 3.3391 |
| CLogS | -4.804 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 286.14 |
| Relative PSA | 0.2424 |
| PolarSurfaceArea | 86.44 |
| Druglikeness | 3.2456 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| StereoCon |
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