| MolName | (Z)-N-[(4-chlorophenyl)methoxy]-1-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]methanimine |
| MolecularFormula | C22H14N3OCl2F3 |
| Smiles | FC(c1cc(Cl)c(-n2c(cccc3)c3c(/C=N\OCc(cc3)ccc3Cl)c2)nc1)(F)F |
| InChI | InChI=1S/C22H14Cl2F3N3O/c23-17-7-5-14(6-8-17)13-31-29-10-15-12-30(20-4-2-1-3-18(15)20)21-19(24)9-16(11-28-21)22(25,26)27/h1-12H,13H2 |
| InChIK | WNVCRXJNFOLBQL-UHFFFAOYSA-N |
| TotalMolweight | 464.273 |
| Molweight | 464.273 |
| MonoisotopicMass | 463.0466 |
| CLogP | 7.8369 |
| CLogS | -8.026 |
| H Acceptors | 4 |
| TotalSurfaceArea | 324.16 |
| Relative PSA | 0.12139 |
| PolarSurfaceArea | 39.41 |
| Druglikeness | -5.4673 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-[(4-chlorophenyl)methoxy]-1-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]methanimine | 2 - (Z)-N-[(4-chlorophenyl)methoxy]-1-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]methanimine