(Z)-1-(1,3-diphenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine
Formula:C20H20N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-1-(1,3-diphenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine is a drug-like molecule.
| MolName | (Z)-1-(1,3-diphenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine |
| MolecularFormula | C20H20N4O |
| Smiles | C(COCC1)N1/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C20H20N4O/c1-3-7-17(8-4-1)20-18(15-21-23-11-13-25-14-12-23)16-24(22-20)19-9-5-2-6-10-19/h1-10,15-16H,11-14H2 |
| InChIK | YTQVYDMKDOFJLD-UHFFFAOYSA-N |
| TotalMolweight | 332.406 |
| Molweight | 332.406 |
| MonoisotopicMass | 332.163711 |
| CLogP | 2.4105 |
| CLogS | -3.344 |
| H Acceptors | 5 |
| TotalSurfaceArea | 267.34 |
| Relative PSA | 0.16047 |
| PolarSurfaceArea | 42.65 |
| Druglikeness | 3.3586 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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