(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(2,4-dichlorophenyl)imino-N-[(2,4-dichlorophenyl)methoxy]prop-1-en-1-amine
Formula:C22H13N3OCl5F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(2,4-dichlorophenyl)imino-N-[(2,4-dichlorophenyl)methoxy]prop-1-en-1-amine is not a drug-like molecule.
| MolName | (E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(2,4-dichlorophenyl)imino-N-[(2,4-dichlorophenyl)methoxy]prop-1-en-1-amine |
| MolecularFormula | C22H13N3OCl5F3 |
| Smiles | FC(c1cc(Cl)c(/C(/C=N/c(ccc(Cl)c2)c2Cl)=C\NOCc(ccc(Cl)c2)c2Cl)nc1)(F)F |
| InChI | InChI=1S/C22H13Cl5F3N3O/c23-15-2-1-12(17(25)6-15)11-34-33-9-13(8-31-20-4-3-16(24)7-18(20)26)21-19(27)5-14(10-32-21)22(28,29)30/h1-10,33H,11H2 |
| InChIK | BXFBNGZAZIIROM-UHFFFAOYSA-N |
| TotalMolweight | 569.624 |
| Molweight | 569.624 |
| MonoisotopicMass | 566.945331 |
| CLogP | 5.9352 |
| CLogS | -8.143 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 382.79 |
| Relative PSA | 0.11479 |
| PolarSurfaceArea | 46.51 |
| Druglikeness | -7.0045 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(2,4-dichlorophenyl)imino-N-[(2,4-dichlorophenyl)methoxy]prop-1-en-1-amine | 2 - (E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(2,4-dichlorophenyl)imino-N-[(2,4-dichlorophenyl)methoxy]prop-1-en-1-amine
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