1-adamantyl (E)-3-phenylprop-2-enoate
Formula:C19H22O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-adamantyl (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | 1-adamantyl (E)-3-phenylprop-2-enoate |
| MolecularFormula | C19H22O2 |
| Smiles | O=C(/C=C/c1ccccc1)OC1(CC(C2)C3)CC3CC2C1 |
| InChI | InChI=1S/C19H22O2/c20-18(7-6-14-4-2-1-3-5-14)21-19-11-15-8-16(12-19)10-17(9-15)13-19/h1-7,15-17H,8-13H2 |
| InChIK | QFNOPYTULISOBR-UHFFFAOYSA-N |
| TotalMolweight | 282.382 |
| Molweight | 282.382 |
| MonoisotopicMass | 282.16198 |
| CLogP | 3.977 |
| CLogS | -4.462 |
| H Acceptors | 2 |
| TotalSurfaceArea | 217.48 |
| Relative PSA | 0.10594 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -2.5892 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 8 |
| StereoCon |
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