(Z)-1-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]methanimine
Formula:C22H12N4OCl2F6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(Z)-1-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]methanimine is not a drug-like molecule.
| MolName | (Z)-1-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]methanimine |
| MolecularFormula | C22H12N4OCl2F6 |
| Smiles | FC(c1cnc(CO/N=C\c(c2c3cccc2)cn3-c(ncc(C(F)(F)F)c2)c2Cl)c(Cl)c1)(F)F |
| InChI | InChI=1S/C22H12Cl2F6N4O/c23-16-5-13(21(25,26)27)8-31-18(16)11-35-33-7-12-10-34(19-4-2-1-3-15(12)19)20-17(24)6-14(9-32-20)22(28,29)30/h1-10H,11H2 |
| InChIK | LASTYDPQDCWZGR-UHFFFAOYSA-N |
| TotalMolweight | 533.258 |
| Molweight | 533.258 |
| MonoisotopicMass | 532.029233 |
| CLogP | 7.7383 |
| CLogS | -8.033 |
| H Acceptors | 5 |
| TotalSurfaceArea | 352.38 |
| Relative PSA | 0.1428 |
| PolarSurfaceArea | 52.3 |
| Druglikeness | -5.4673 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-1-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]methanimine | 2 - (Z)-1-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]methanimine
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