2-[(Z)-[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]hydrazinylidene]methyl]-4,6-dinitrophenolate
Formula:C16H10N8O6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]hydrazinylidene]methyl]-4,6-dinitrophenolate is not a drug-like molecule.
| MolName | 2-[(Z)-[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]hydrazinylidene]methyl]-4,6-dinitrophenolate |
| MolecularFormula | C16H10N8O6Cl |
| Smiles | [O-]c(c([N+]([O-])=O)c1)c(/C=N\NC(Cn2nnc(-c(cccc3)c3Cl)n2)=O)cc1[N+]([O-])=O |
| InChI | InChI=1S/C16H11ClN8O6/c17-12-4-2-1-3-11(12)16-20-22-23(21-16)8-14(26)19-18-7-9-5-10(24(28)29)6-13(15(9)27)25(30)31/h1-7,27H,8H2,(H,19,26)/p-1 |
| InChIK | OJHAUBVDPXEREB-UHFFFAOYSA-M |
| TotalMolweight | 445.758 |
| Molweight | 445.758 |
| MonoisotopicMass | 445.041184 |
| CLogP | -0.648 |
| CLogS | -5.149 |
| H Acceptors | 14 |
| H Donors | 1 |
| TotalSurfaceArea | 316.28 |
| Relative PSA | 0.47714 |
| PolarSurfaceArea | 199.76 |
| Druglikeness | -4.1 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]hydrazinylidene]methyl]-4,6-dinitrophenolate | 2 - 2-[(Z)-[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]hydrazinylidene]methyl]-4,6-dinitrophenolate
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