5-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-6-N-(4-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
Formula:C17H10N8O3ClI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-6-N-(4-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is not a drug-like molecule.
| MolName | 5-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-6-N-(4-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine |
| MolecularFormula | C17H10N8O3ClI |
| Smiles | [O-][N+](c(cc(/C=N\Nc1nc2nonc2nc1Nc(cc1)ccc1I)cc1)c1Cl)=O |
| InChI | InChI=1S/C17H10ClIN8O3/c18-12-6-1-9(7-13(12)27(28)29)8-20-24-15-14(21-11-4-2-10(19)3-5-11)22-16-17(23-15)26-30-25-16/h1-8H,(H,21,22,25)(H,23,24,26) |
| InChIK | VDVWFJTYFNNHSB-UHFFFAOYSA-N |
| TotalMolweight | 536.672 |
| Molweight | 536.672 |
| MonoisotopicMass | 535.960912 |
| CLogP | 5.7103 |
| CLogS | -7.728 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 325.16 |
| Relative PSA | 0.37778 |
| PolarSurfaceArea | 146.94 |
| Druglikeness | -1.229 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| 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 - 5-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-6-N-(4-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine | 2 - 5-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-6-N-(4-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
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