(Z)-1-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]-N-[(2,6-dichlorophenyl)methoxy]methanimine
Formula:C17H10N4OCl3F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(Z)-1-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]-N-[(2,6-dichlorophenyl)methoxy]methanimine is not a drug-like molecule.
| MolName | (Z)-1-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]-N-[(2,6-dichlorophenyl)methoxy]methanimine |
| MolecularFormula | C17H10N4OCl3F3 |
| Smiles | FC(c1cc(Cl)c(-n2nccc2/C=N\OCc(c(Cl)ccc2)c2Cl)nc1)(F)F |
| InChI | InChI=1S/C17H10Cl3F3N4O/c18-13-2-1-3-14(19)12(13)9-28-26-8-11-4-5-25-27(11)16-15(20)6-10(7-24-16)17(21,22)23/h1-8H,9H2 |
| InChIK | XMVZGYVXBVSXPP-UHFFFAOYSA-N |
| TotalMolweight | 449.646 |
| Molweight | 449.646 |
| MonoisotopicMass | 447.987226 |
| CLogP | 6.1639 |
| CLogS | -4.707 |
| H Acceptors | 5 |
| TotalSurfaceArea | 303.74 |
| Relative PSA | 0.16567 |
| PolarSurfaceArea | 52.3 |
| Druglikeness | -3.0778 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-1-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]-N-[(2,6-dichlorophenyl)methoxy]methanimine | 2 - (Z)-1-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]-N-[(2,6-dichlorophenyl)methoxy]methanimine
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