2-[2-[(Z)-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetate
Formula:C24H19N6O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-[(Z)-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetate |
| MolecularFormula | C24H19N6O4 |
| Smiles | [O-]C(COc1c(/C=N\NC(c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)=O)cccc1)=O |
| InChI | InChI=1S/C24H20N6O4/c31-22(32)16-34-21-9-5-4-8-20(21)14-25-27-24(33)19-12-10-17(11-13-19)15-30-28-23(26-29-30)18-6-2-1-3-7-18/h1-14H,15-16H2,(H,27,33)(H,31,32)/p-1 |
| InChIK | PQZCIMCDSWCPDV-UHFFFAOYSA-M |
| TotalMolweight | 455.453 |
| Molweight | 455.453 |
| MonoisotopicMass | 455.146779 |
| CLogP | 1.3598 |
| CLogS | -4.905 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 354.79 |
| Relative PSA | 0.31881 |
| PolarSurfaceArea | 134.42 |
| Druglikeness | 0.74817 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetate
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