(E)-N'-[2-(1-adamantyl)acetyl]-3-thiophen-2-ylprop-2-enehydrazide
Formula:C19H24N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N'-[2-(1-adamantyl)acetyl]-3-thiophen-2-ylprop-2-enehydrazide is a drug-like molecule.
| MolName | (E)-N'-[2-(1-adamantyl)acetyl]-3-thiophen-2-ylprop-2-enehydrazide |
| MolecularFormula | C19H24N2O2S |
| Smiles | O=C(CC1(CC(C2)C3)CC3CC2C1)NNC(/C=C/c1cccs1)=O |
| InChI | InChI=1S/C19H24N2O2S/c22-17(4-3-16-2-1-5-24-16)20-21-18(23)12-19-9-13-6-14(10-19)8-15(7-13)11-19/h1-5,13-15H,6-12H2,(H,20,22)(H,21,23) |
| InChIK | ZKQPBXSJWWGCGW-UHFFFAOYSA-N |
| TotalMolweight | 344.478 |
| Molweight | 344.478 |
| MonoisotopicMass | 344.155848 |
| CLogP | 2.7211 |
| CLogS | -4.945 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 257.85 |
| Relative PSA | 0.26899 |
| PolarSurfaceArea | 86.44 |
| Druglikeness | 2.8918 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 11 |
| Symmetricatoms | 6 |
| StereoCon |
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