2-[(Z)-[[2-(5-aminotetrazol-2-yl)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
Formula:C10H9N8O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[2-(5-aminotetrazol-2-yl)acetyl]hydrazinylidene]methyl]-4-nitrophenolate is not a drug-like molecule.
| MolName | 2-[(Z)-[[2-(5-aminotetrazol-2-yl)acetyl]hydrazinylidene]methyl]-4-nitrophenolate |
| MolecularFormula | C10H9N8O4 |
| Smiles | Nc1nn(CC(N/N=C\c(cc(cc2)[N+]([O-])=O)c2[O-])=O)nn1 |
| InChI | InChI=1S/C10H10N8O4/c11-10-14-16-17(15-10)5-9(20)13-12-4-6-3-7(18(21)22)1-2-8(6)19/h1-4,19H,5H2,(H2,11,15)(H,13,20)/p-1 |
| InChIK | ZZKKWQOPYVIMBC-UHFFFAOYSA-M |
| TotalMolweight | 305.233 |
| Molweight | 305.233 |
| MonoisotopicMass | 305.074677 |
| CLogP | -2.2832 |
| CLogS | -2.155 |
| H Acceptors | 12 |
| H Donors | 2 |
| TotalSurfaceArea | 225.95 |
| Relative PSA | 0.60084 |
| PolarSurfaceArea | 179.96 |
| Druglikeness | -4.0368 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| 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 | 3 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-[[2-(5-aminotetrazol-2-yl)acetyl]hydrazinylidene]methyl]-4-nitrophenolate | 2 - 2-[(Z)-[[2-(5-aminotetrazol-2-yl)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
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