(4-chlorophenyl)methyl N-[(E)-2-(4-chlorophenyl)ethenyl]carbamate
Formula:C16H13NO2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-chlorophenyl)methyl N-[(E)-2-(4-chlorophenyl)ethenyl]carbamate is a drug-like molecule.
| MolName | (4-chlorophenyl)methyl N-[(E)-2-(4-chlorophenyl)ethenyl]carbamate |
| MolecularFormula | C16H13NO2Cl2 |
| Smiles | O=C(N/C=C/c(cc1)ccc1Cl)OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C16H13Cl2NO2/c17-14-5-1-12(2-6-14)9-10-19-16(20)21-11-13-3-7-15(18)8-4-13/h1-10H,11H2,(H,19,20) |
| InChIK | JNLPWABOKAUOKX-UHFFFAOYSA-N |
| TotalMolweight | 322.19 |
| Molweight | 322.19 |
| MonoisotopicMass | 321.032333 |
| CLogP | 4.2186 |
| CLogS | -5.583 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 243.33 |
| Relative PSA | 0.14178 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -9.0524 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7619 |
| 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 | 4 |
| Amides | 1 |
| StereoCon |
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