(Z)-N-[(4-chlorophenyl)methoxy]-1-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]methanimine
Formula:C18H12N3OCl2F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(Z)-N-[(4-chlorophenyl)methoxy]-1-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]methanimine is not a drug-like molecule.
| MolName | (Z)-N-[(4-chlorophenyl)methoxy]-1-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]methanimine |
| MolecularFormula | C18H12N3OCl2F3 |
| Smiles | FC(c1cc(Cl)c(-n2c(/C=N\OCc(cc3)ccc3Cl)ccc2)nc1)(F)F |
| InChI | InChI=1S/C18H12Cl2F3N3O/c19-14-5-3-12(4-6-14)11-27-25-10-15-2-1-7-26(15)17-16(20)8-13(9-24-17)18(21,22)23/h1-10H,11H2 |
| InChIK | XKYUFQRENYYGLT-UHFFFAOYSA-N |
| TotalMolweight | 414.213 |
| Molweight | 414.213 |
| MonoisotopicMass | 413.03095 |
| CLogP | 6.574 |
| CLogS | -6.549 |
| H Acceptors | 4 |
| TotalSurfaceArea | 289.56 |
| Relative PSA | 0.1359 |
| PolarSurfaceArea | 39.41 |
| Druglikeness | -4.885 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| 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]pyrrol-2-yl]methanimine | 2 - (Z)-N-[(4-chlorophenyl)methoxy]-1-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]methanimine
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