(Z)-N-[(4-chlorophenyl)methoxy]-1-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]methanimine
Formula:C17H11N4OCl2F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(Z)-N-[(4-chlorophenyl)methoxy]-1-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]methanimine is not a drug-like molecule.
| MolName | (Z)-N-[(4-chlorophenyl)methoxy]-1-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]methanimine |
| MolecularFormula | C17H11N4OCl2F3 |
| Smiles | FC(c1cc(Cl)c(-n2nccc2/C=N\OCc(cc2)ccc2Cl)nc1)(F)F |
| InChI | InChI=1S/C17H11Cl2F3N4O/c18-13-3-1-11(2-4-13)10-27-25-9-14-5-6-24-26(14)16-15(19)7-12(8-23-16)17(20,21)22/h1-9H,10H2 |
| InChIK | ODMYBIDQGUBJKY-UHFFFAOYSA-N |
| TotalMolweight | 415.201 |
| Molweight | 415.201 |
| MonoisotopicMass | 414.026199 |
| CLogP | 5.5579 |
| CLogS | -3.971 |
| H Acceptors | 5 |
| TotalSurfaceArea | 288.32 |
| Relative PSA | 0.17453 |
| PolarSurfaceArea | 52.3 |
| Druglikeness | -3.0778 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-[(4-chlorophenyl)methoxy]-1-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]methanimine | 2 - (Z)-N-[(4-chlorophenyl)methoxy]-1-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]methanimine
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