(4-bromophenyl)methyl N-[(E)-2-(2-chlorophenyl)ethenyl]carbamate
Formula:C16H13NO2BrCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(4-bromophenyl)methyl N-[(E)-2-(2-chlorophenyl)ethenyl]carbamate is a drug-like molecule.
| MolName | (4-bromophenyl)methyl N-[(E)-2-(2-chlorophenyl)ethenyl]carbamate |
| MolecularFormula | C16H13NO2BrCl |
| Smiles | O=C(N/C=C/c(cccc1)c1Cl)OCc(cc1)ccc1Br |
| InChI | InChI=1S/C16H13BrClNO2/c17-14-7-5-12(6-8-14)11-21-16(20)19-10-9-13-3-1-2-4-15(13)18/h1-10H,11H2,(H,19,20) |
| InChIK | VLRCPPHYVYUKQK-UHFFFAOYSA-N |
| TotalMolweight | 366.641 |
| Molweight | 366.641 |
| MonoisotopicMass | 364.981817 |
| CLogP | 4.3378 |
| CLogS | -5.681 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 246.54 |
| Relative PSA | 0.13994 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -10.842 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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