[(E)-3-phenylprop-2-enyl] N-(2-fluorophenyl)carbamate
Formula:C16H14NO2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-3-phenylprop-2-enyl] N-(2-fluorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-3-phenylprop-2-enyl] N-(2-fluorophenyl)carbamate |
| MolecularFormula | C16H14NO2F |
| Smiles | O=C(Nc(cccc1)c1F)OC/C=C/c1ccccc1 |
| InChI | InChI=1S/C16H14FNO2/c17-14-10-4-5-11-15(14)18-16(19)20-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2,(H,18,19) |
| InChIK | VQDPCBDBIDZXFI-UHFFFAOYSA-N |
| TotalMolweight | 271.29 |
| Molweight | 271.29 |
| MonoisotopicMass | 271.100857 |
| CLogP | 3.8466 |
| CLogS | -4.427 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 218.84 |
| Relative PSA | 0.15765 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -10.427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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