| MolName | (E)-N'-[2-(1-adamantyl)acetyl]-3-(3,5-dichlorophenyl)prop-2-enehydrazide |
| MolecularFormula | C21H24N2O2Cl2 |
| Smiles | O=C(CC1(CC(C2)C3)CC3CC2C1)NNC(/C=C/c1cc(Cl)cc(Cl)c1)=O |
| InChI | InChI=1S/C21H24Cl2N2O2/c22-17-6-13(7-18(23)8-17)1-2-19(26)24-25-20(27)12-21-9-14-3-15(10-21)5-16(4-14)11-21/h1-2,6-8,14-16H,3-5,9-12H2,(H,24,26)(H,25,27) |
| InChIK | CRAHFTGNFJDEGX-UHFFFAOYSA-N |
| TotalMolweight | 407.34 |
| Molweight | 407.34 |
| MonoisotopicMass | 406.121482 |
| CLogP | 4.0665 |
| CLogS | -6.407 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 292.75 |
| Relative PSA | 0.16738 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | 1.1196 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 9 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N'-[2-(1-adamantyl)acetyl]-3-(3,5-dichlorophenyl)prop-2-enehydrazide | 2 - (E)-N'-[2-(1-adamantyl)acetyl]-3-(3,5-dichlorophenyl)prop-2-enehydrazide