N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Formula:C18H14N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine |
| MolecularFormula | C18H14N6 |
| Smiles | C(/C=N\Nc(c1c2cccc1)nn1c2nnc1)=C/c1ccccc1 |
| InChI | InChI=1S/C18H14N6/c1-2-7-14(8-3-1)9-6-12-19-21-17-15-10-4-5-11-16(15)18-22-20-13-24(18)23-17/h1-13H,(H,21,23) |
| InChIK | LPUOSXWXBKVSFO-UHFFFAOYSA-N |
| TotalMolweight | 314.351 |
| Molweight | 314.351 |
| MonoisotopicMass | 314.127994 |
| CLogP | 3.9174 |
| CLogS | -5.529 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 251.87 |
| Relative PSA | 0.25342 |
| PolarSurfaceArea | 67.47 |
| Druglikeness | 4.2127 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine | 2 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
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