3-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
Formula:C19H24N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is a drug-like molecule.
| MolName | 3-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol |
| MolecularFormula | C19H24N6O |
| Smiles | Oc1cc(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)c2)ccc1 |
| InChI | InChI=1S/C19H24N6O/c26-16-7-5-6-15(12-16)14-20-23-17-13-18(24-8-1-2-9-24)22-19(21-17)25-10-3-4-11-25/h5-7,12-14,26H,1-4,8-11H2,(H,21,22,23) |
| InChIK | ZAPOLWKWHTVJKA-UHFFFAOYSA-N |
| TotalMolweight | 352.441 |
| Molweight | 352.441 |
| MonoisotopicMass | 352.201159 |
| CLogP | 4.9863 |
| CLogS | -4.614 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 276.79 |
| Relative PSA | 0.23523 |
| PolarSurfaceArea | 76.88 |
| Druglikeness | 4.0845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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