2-(5-aminotetrazol-1-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
Formula:C10H10N8O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-aminotetrazol-1-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(5-aminotetrazol-1-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C10H10N8O3 |
| Smiles | Nc1nnnn1CC(N/N=C\c1cccc([N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C10H10N8O3/c11-10-14-15-16-17(10)6-9(19)13-12-5-7-2-1-3-8(4-7)18(20)21/h1-5H,6H2,(H,13,19)(H2,11,14,16) |
| InChIK | BFLSMDVFARHMCC-UHFFFAOYSA-N |
| TotalMolweight | 290.242 |
| Molweight | 290.242 |
| MonoisotopicMass | 290.087587 |
| CLogP | -0.7411 |
| CLogS | -3.326 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 218.42 |
| Relative PSA | 0.55618 |
| PolarSurfaceArea | 156.9 |
| Druglikeness | -0.97528 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| 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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