| MolName | [(E)-[amino-[4-(3,5-dichloropyridin-4-yl)oxyphenyl]methylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C19H13N4O3Cl3 |
| Smiles | N/C(/c(cc1)ccc1Oc(c(Cl)cnc1)c1Cl)=N/OC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C19H13Cl3N4O3/c20-12-3-5-13(6-4-12)25-19(27)29-26-18(23)11-1-7-14(8-2-11)28-17-15(21)9-24-10-16(17)22/h1-10H,(H2,23,26)(H,25,27) |
| InChIK | MPIWBCMKOHMIRM-UHFFFAOYSA-N |
| TotalMolweight | 451.696 |
| Molweight | 451.696 |
| MonoisotopicMass | 450.005322 |
| CLogP | 5.2787 |
| CLogS | -7.762 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 318.5 |
| Relative PSA | 0.25824 |
| PolarSurfaceArea | 98.83 |
| Druglikeness | -5.6459 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino-[4-(3,5-dichloropyridin-4-yl)oxyphenyl]methylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(E)-[amino-[4-(3,5-dichloropyridin-4-yl)oxyphenyl]methylidene]amino] N-(4-chlorophenyl)carbamate