2-[2-[(Z)-[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetate
Formula:C18H14N6O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-[(Z)-[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetate |
| MolecularFormula | C18H14N6O4Cl |
| Smiles | [O-]C(COc1c(/C=N\NC(Cn2nnc(-c(cccc3)c3Cl)n2)=O)cccc1)=O |
| InChI | InChI=1S/C18H15ClN6O4/c19-14-7-3-2-6-13(14)18-22-24-25(23-18)10-16(26)21-20-9-12-5-1-4-8-15(12)29-11-17(27)28/h1-9H,10-11H2,(H,21,26)(H,27,28)/p-1 |
| InChIK | FXNDXFCEVGNAKJ-UHFFFAOYSA-M |
| TotalMolweight | 413.8 |
| Molweight | 413.8 |
| MonoisotopicMass | 413.076506 |
| CLogP | 0.1029 |
| CLogS | -4.318 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 310.45 |
| Relative PSA | 0.36434 |
| PolarSurfaceArea | 134.42 |
| Druglikeness | 0.93755 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetate
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