2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]acetamide
Formula:C10H8N8O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C10H8N8O3Cl2 |
| Smiles | Nc1nnnn1CC(N/N=C\c(c(Cl)c1)cc([N+]([O-])=O)c1Cl)=O |
| InChI | InChI=1S/C10H8Cl2N8O3/c11-6-2-7(12)8(20(22)23)1-5(6)3-14-15-9(21)4-19-10(13)16-17-18-19/h1-3H,4H2,(H,15,21)(H2,13,16,18) |
| InChIK | OZOGRRSKBWNMBF-UHFFFAOYSA-N |
| TotalMolweight | 359.133 |
| Molweight | 359.133 |
| MonoisotopicMass | 358.009641 |
| CLogP | 0.4709 |
| CLogS | -4.798 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 249.26 |
| Relative PSA | 0.48736 |
| PolarSurfaceArea | 156.9 |
| Druglikeness | -0.94793 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| 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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1 - 2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]acetamide | 2 - 2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]acetamide
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