3-[(Z)-(4-chlorophenyl)methylideneamino]-7-phenylpyrazolo[3,4-d]triazin-4-one
Formula:C17H11N6OCl
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
3-[(Z)-(4-chlorophenyl)methylideneamino]-7-phenylpyrazolo[3,4-d]triazin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-(4-chlorophenyl)methylideneamino]-7-phenylpyrazolo[3,4-d]triazin-4-one |
| MolecularFormula | C17H11N6OCl |
| Smiles | O=C1N(/N=C\c(cc2)ccc2Cl)N=Nc2c1cnn2-c1ccccc1 |
| InChI | InChI=1S/C17H11ClN6O/c18-13-8-6-12(7-9-13)10-20-24-17(25)15-11-19-23(16(15)21-22-24)14-4-2-1-3-5-14/h1-11H |
| InChIK | TVCMECKSJVTAOC-UHFFFAOYSA-N |
| TotalMolweight | 350.768 |
| Molweight | 350.768 |
| MonoisotopicMass | 350.068286 |
| CLogP | 3.9959 |
| CLogS | -4.712 |
| H Acceptors | 7 |
| TotalSurfaceArea | 258.49 |
| Relative PSA | 0.26678 |
| PolarSurfaceArea | 75.21 |
| Druglikeness | 0.33402 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(Z)-(4-chlorophenyl)methylideneamino]-7-phenylpyrazolo[3,4-d]triazin-4-one | 2 - 3-[(Z)-(4-chlorophenyl)methylideneamino]-7-phenylpyrazolo[3,4-d]triazin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off