6-N-(4-fluorophenyl)-5-N-[(Z)-(3-nitrophenyl)methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
Formula:C17H11N8O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-N-(4-fluorophenyl)-5-N-[(Z)-(3-nitrophenyl)methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is not a drug-like molecule.
| MolName | 6-N-(4-fluorophenyl)-5-N-[(Z)-(3-nitrophenyl)methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine |
| MolecularFormula | C17H11N8O3F |
| Smiles | [O-][N+](c1cccc(/C=N\Nc2nc3nonc3nc2Nc(cc2)ccc2F)c1)=O |
| InChI | InChI=1S/C17H11FN8O3/c18-11-4-6-12(7-5-11)20-14-15(22-17-16(21-14)24-29-25-17)23-19-9-10-2-1-3-13(8-10)26(27)28/h1-9H,(H,20,21,24)(H,22,23,25) |
| InChIK | XJDXETJBFCTLNR-UHFFFAOYSA-N |
| TotalMolweight | 394.325 |
| Molweight | 394.325 |
| MonoisotopicMass | 394.093815 |
| CLogP | 4.768 |
| CLogS | -6.29 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 289.81 |
| Relative PSA | 0.42386 |
| PolarSurfaceArea | 146.94 |
| Druglikeness | -3.0907 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 6-N-(4-fluorophenyl)-5-N-[(Z)-(3-nitrophenyl)methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine | 2 - 6-N-(4-fluorophenyl)-5-N-[(Z)-(3-nitrophenyl)methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
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