3-[(Z)-[[4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
Formula:C22H18N6O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
3-[(Z)-[[4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol is not a drug-like molecule.
| MolName | 3-[(Z)-[[4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol |
| MolecularFormula | C22H18N6O2 |
| Smiles | Oc1cccc(/C=N\Nc(c2ccccc22)nnc2N/N=C\c2cccc(O)c2)c1 |
| InChI | InChI=1S/C22H18N6O2/c29-17-7-3-5-15(11-17)13-23-25-21-19-9-1-2-10-20(19)22(28-27-21)26-24-14-16-6-4-8-18(30)12-16/h1-14,29-30H,(H,25,27)(H,26,28) |
| InChIK | GWXOMCKJFPEHFY-UHFFFAOYSA-N |
| TotalMolweight | 398.425 |
| Molweight | 398.425 |
| MonoisotopicMass | 398.149124 |
| CLogP | 7.3982 |
| CLogS | -5.5 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 310.04 |
| Relative PSA | 0.30344 |
| PolarSurfaceArea | 115.02 |
| Druglikeness | 2.1702 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 15 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-[(Z)-[[4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol | 2 - 3-[(Z)-[[4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
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