(NZ)-N-[6-(4-nitrophenyl)-[1,3]thiazolo[3,2-b][1,2,4]thiadiazol-2-ylidene]nitramide
Formula:C10H5N5O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[6-(4-nitrophenyl)-[1,3]thiazolo[3,2-b][1,2,4]thiadiazol-2-ylidene]nitramide is a drug-like molecule.
| MolName | (NZ)-N-[6-(4-nitrophenyl)-[1,3]thiazolo[3,2-b][1,2,4]thiadiazol-2-ylidene]nitramide |
| MolecularFormula | C10H5N5O4S2 |
| Smiles | [O-][N+](c(cc1)ccc1C(N1S2)=CSC1=N/C2=N/[N+]([O-])=O)=O |
| InChI | InChI=1S/C10H5N5O4S2/c16-14(17)7-3-1-6(2-4-7)8-5-20-10-11-9(12-15(18)19)21-13(8)10/h1-5H |
| InChIK | CZFICIFVDDYEPV-UHFFFAOYSA-N |
| TotalMolweight | 323.313 |
| Molweight | 323.313 |
| MonoisotopicMass | 322.978295 |
| CLogP | 1.906 |
| CLogS | -5.921 |
| H Acceptors | 9 |
| TotalSurfaceArea | 209.53 |
| Relative PSA | 0.58412 |
| PolarSurfaceArea | 170.2 |
| Druglikeness | -3.8945 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; N-nitro |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (NZ)-N-[6-(4-nitrophenyl)-[1,3]thiazolo[3,2-b][1,2,4]thiadiazol-2-ylidene]nitramide | 2 - (NZ)-N-[6-(4-nitrophenyl)-[1,3]thiazolo[3,2-b][1,2,4]thiadiazol-2-ylidene]nitramide
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