N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Formula:C16H10N6Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine |
| MolecularFormula | C16H10N6Cl2 |
| Smiles | Clc1cc(Cl)c(/C=N\Nc(c2c3cccc2)nn2c3nnc2)cc1 |
| InChI | InChI=1S/C16H10Cl2N6/c17-11-6-5-10(14(18)7-11)8-19-21-15-12-3-1-2-4-13(12)16-22-20-9-24(16)23-15/h1-9H,(H,21,23) |
| InChIK | IYRUBNVBYDYQCW-UHFFFAOYSA-N |
| TotalMolweight | 357.203 |
| Molweight | 357.203 |
| MonoisotopicMass | 356.034398 |
| CLogP | 5.1111 |
| CLogS | -6.709 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 256.21 |
| Relative PSA | 0.24913 |
| PolarSurfaceArea | 67.47 |
| Druglikeness | 4.2795 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
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