[(E)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxybut-2-enyl] N-(4-chlorophenyl)carbamate
Formula:C17H13N2O3Cl2F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
[(E)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxybut-2-enyl] N-(4-chlorophenyl)carbamate is not a drug-like molecule.
| MolName | [(E)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxybut-2-enyl] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C17H13N2O3Cl2F3 |
| Smiles | O=C(Nc(cc1)ccc1Cl)OC/C=C/COc(ncc(C(F)(F)F)c1)c1Cl |
| InChI | InChI=1S/C17H13Cl2F3N2O3/c18-12-3-5-13(6-4-12)24-16(25)27-8-2-1-7-26-15-14(19)9-11(10-23-15)17(20,21)22/h1-6,9-10H,7-8H2,(H,24,25) |
| InChIK | DCVZXWCMVSHRKF-UHFFFAOYSA-N |
| TotalMolweight | 421.201 |
| Molweight | 421.201 |
| MonoisotopicMass | 420.025531 |
| CLogP | 5.0589 |
| CLogS | -5.815 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 295.31 |
| Relative PSA | 0.18784 |
| PolarSurfaceArea | 60.45 |
| Druglikeness | -16.162 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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