| MolName | [(E)-3-phenylprop-2-enyl] N-cyclohexylcarbamate |
| MolecularFormula | C16H21NO2 |
| Smiles | O=C(NC1CCCCC1)OC/C=C/c1ccccc1 |
| InChI | InChI=1S/C16H21NO2/c18-16(17-15-11-5-2-6-12-15)19-13-7-10-14-8-3-1-4-9-14/h1,3-4,7-10,15H,2,5-6,11-13H2,(H,17,18) |
| InChIK | OIGDQZWKPRNDGP-UHFFFAOYSA-N |
| TotalMolweight | 259.348 |
| Molweight | 259.348 |
| MonoisotopicMass | 259.157229 |
| CLogP | 3.5928 |
| CLogS | -4.18 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 220.53 |
| Relative PSA | 0.15644 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -17.59 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-3-phenylprop-2-enyl] N-cyclohexylcarbamate | 2 - [(E)-3-phenylprop-2-enyl] N-cyclohexylcarbamate