3-[(Z)-(4-nitrophenyl)methylideneamino]-7-phenylpyrazolo[3,4-d]triazin-4-one
Formula:C17H11N7O3
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
3-[(Z)-(4-nitrophenyl)methylideneamino]-7-phenylpyrazolo[3,4-d]triazin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-(4-nitrophenyl)methylideneamino]-7-phenylpyrazolo[3,4-d]triazin-4-one |
| MolecularFormula | C17H11N7O3 |
| Smiles | [O-][N+](c1ccc(/C=N\N2N=Nc(n(-c3ccccc3)nc3)c3C2=O)cc1)=O |
| InChI | InChI=1S/C17H11N7O3/c25-17-15-11-18-22(13-4-2-1-3-5-13)16(15)20-21-23(17)19-10-12-6-8-14(9-7-12)24(26)27/h1-11H |
| InChIK | FXIYRAKKGWYAQL-UHFFFAOYSA-N |
| TotalMolweight | 361.32 |
| Molweight | 361.32 |
| MonoisotopicMass | 361.092338 |
| CLogP | 2.4683 |
| CLogS | -4.436 |
| H Acceptors | 10 |
| TotalSurfaceArea | 266.74 |
| Relative PSA | 0.37257 |
| PolarSurfaceArea | 121.03 |
| Druglikeness | -4.8379 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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