benzyl N-[(E)-2-(4-chlorophenyl)ethenyl]carbamate
Formula:C16H14NO2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
benzyl N-[(E)-2-(4-chlorophenyl)ethenyl]carbamate is a drug-like molecule.
| MolName | benzyl N-[(E)-2-(4-chlorophenyl)ethenyl]carbamate |
| MolecularFormula | C16H14NO2Cl |
| Smiles | O=C(N/C=C/c(cc1)ccc1Cl)OCc1ccccc1 |
| InChI | InChI=1S/C16H14ClNO2/c17-15-8-6-13(7-9-15)10-11-18-16(19)20-12-14-4-2-1-3-5-14/h1-11H,12H2,(H,18,19) |
| InChIK | TYKGBUSMSOYIOQ-UHFFFAOYSA-N |
| TotalMolweight | 287.745 |
| Molweight | 287.745 |
| MonoisotopicMass | 287.071306 |
| CLogP | 3.6126 |
| CLogS | -4.847 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 227.91 |
| Relative PSA | 0.15138 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -9.0524 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| 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 | 4 |
| Amides | 1 |
| StereoCon |
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