2-(5-aminotetrazol-1-yl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
Formula:C10H9N8O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-aminotetrazol-1-yl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(5-aminotetrazol-1-yl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C10H9N8O3Cl |
| Smiles | Nc1nnnn1CC(N/N=C\c(cc(cc1)[N+]([O-])=O)c1Cl)=O |
| InChI | InChI=1S/C10H9ClN8O3/c11-8-2-1-7(19(21)22)3-6(8)4-13-14-9(20)5-18-10(12)15-16-17-18/h1-4H,5H2,(H,14,20)(H2,12,15,17) |
| InChIK | ZCUYLRAQCLCTIU-UHFFFAOYSA-N |
| TotalMolweight | 324.687 |
| Molweight | 324.687 |
| MonoisotopicMass | 324.048614 |
| CLogP | -0.1351 |
| CLogS | -4.062 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 233.84 |
| Relative PSA | 0.5195 |
| PolarSurfaceArea | 156.9 |
| Druglikeness | -0.94793 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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