[(E)-3-chloroprop-2-enyl] N-(3-chlorophenyl)carbamate
Formula:C10H9NO2Cl2
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
[(E)-3-chloroprop-2-enyl] N-(3-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-3-chloroprop-2-enyl] N-(3-chlorophenyl)carbamate |
| MolecularFormula | C10H9NO2Cl2 |
| Smiles | O=C(Nc1cccc(Cl)c1)OC/C=C/Cl |
| InChI | InChI=1S/C10H9Cl2NO2/c11-5-2-6-15-10(14)13-9-4-1-3-8(12)7-9/h1-5,7H,6H2,(H,13,14) |
| InChIK | BBRKGHJLWIYRKZ-UHFFFAOYSA-N |
| TotalMolweight | 246.092 |
| Molweight | 246.092 |
| MonoisotopicMass | 245.001033 |
| CLogP | 2.971 |
| CLogS | -3.926 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 183.57 |
| Relative PSA | 0.18794 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -9.0524 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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