4-[(Z)-[[2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]acetyl]hydrazinylidene]methyl]benzoate
Formula:C19H16N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]acetyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.
| MolName | 4-[(Z)-[[2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]acetyl]hydrazinylidene]methyl]benzoate |
| MolecularFormula | C19H16N3O6 |
| Smiles | [O-]C(c1ccc(/C=N\NC(CNC([C@@H]2Oc(cccc3)c3OC2)=O)=O)cc1)=O |
| InChI | InChI=1S/C19H17N3O6/c23-17(22-21-9-12-5-7-13(8-6-12)19(25)26)10-20-18(24)16-11-27-14-3-1-2-4-15(14)28-16/h1-9,16H,10-11H2,(H,20,24)(H,22,23)(H,25,26)/p-1/t16-/m1/s1 |
| InChIK | HLNODIYSHAJOAF-MRXNPFEDSA-M |
| TotalMolweight | 382.351 |
| Molweight | 382.351 |
| MonoisotopicMass | 382.103912 |
| CLogP | -0.7635 |
| CLogS | -3.523 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 288 |
| Relative PSA | 0.37441 |
| PolarSurfaceArea | 129.15 |
| Druglikeness | 6.3007 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - 4-[(Z)-[[2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]acetyl]hydrazinylidene]methyl]benzoate | 2 - 4-[(Z)-[[2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]acetyl]hydrazinylidene]methyl]benzoate
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