4-[2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]-2H-phthalazin-1-one
Formula:C19H18N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]-2H-phthalazin-1-one is a drug-like molecule.
| MolName | 4-[2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]-2H-phthalazin-1-one |
| MolecularFormula | C19H18N4O |
| Smiles | O=C1NN=C(CCN/N=C\C=C\c2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C19H18N4O/c24-19-17-11-5-4-10-16(17)18(22-23-19)12-14-21-20-13-6-9-15-7-2-1-3-8-15/h1-11,13,21H,12,14H2,(H,23,24) |
| InChIK | XHVJZXDURBKUAF-UHFFFAOYSA-N |
| TotalMolweight | 318.379 |
| Molweight | 318.379 |
| MonoisotopicMass | 318.148061 |
| CLogP | 3.0686 |
| CLogS | -5.142 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 261.94 |
| Relative PSA | 0.22517 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | 5.1297 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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