(Z)-N-[(2,6-dichlorophenyl)methoxy]-1-(6-pyrazol-1-ylpyridin-3-yl)methanimine
Formula:C16H12N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(2,6-dichlorophenyl)methoxy]-1-(6-pyrazol-1-ylpyridin-3-yl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[(2,6-dichlorophenyl)methoxy]-1-(6-pyrazol-1-ylpyridin-3-yl)methanimine |
| MolecularFormula | C16H12N4OCl2 |
| Smiles | Clc1cccc(Cl)c1CO/N=C\c(cc1)cnc1-n1nccc1 |
| InChI | InChI=1S/C16H12Cl2N4O/c17-14-3-1-4-15(18)13(14)11-23-21-10-12-5-6-16(19-9-12)22-8-2-7-20-22/h1-10H,11H2 |
| InChIK | XBWRLNVWYJUQTN-UHFFFAOYSA-N |
| TotalMolweight | 347.204 |
| Molweight | 347.204 |
| MonoisotopicMass | 346.038815 |
| CLogP | 4.6556 |
| CLogS | -3.169 |
| H Acceptors | 5 |
| TotalSurfaceArea | 258.86 |
| Relative PSA | 0.19439 |
| PolarSurfaceArea | 52.3 |
| Druglikeness | 3.4567 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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