4-[(Z)-(2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbonylhydrazinylidene)methyl]benzoic acid
Formula:C21H16N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-(2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbonylhydrazinylidene)methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-(2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbonylhydrazinylidene)methyl]benzoic acid |
| MolecularFormula | C21H16N2O5 |
| Smiles | OC(c1ccc(/C=N\NC(C2Oc3cc4ccccc4cc3OC2)=O)cc1)=O |
| InChI | InChI=1S/C21H16N2O5/c24-20(23-22-11-13-5-7-14(8-6-13)21(25)26)19-12-27-17-9-15-3-1-2-4-16(15)10-18(17)28-19/h1-11,19H,12H2,(H,23,24)(H,25,26)/t19-/m0/s1 |
| InChIK | MMIMMAVPJCEAAG-IBGZPJMESA-N |
| TotalMolweight | 376.367 |
| Molweight | 376.367 |
| MonoisotopicMass | 376.105923 |
| CLogP | 3.4232 |
| CLogS | -5.362 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 278.45 |
| Relative PSA | 0.29503 |
| PolarSurfaceArea | 97.22 |
| Druglikeness | 4.8037 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 4-[(Z)-(2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbonylhydrazinylidene)methyl]benzoic acid | 2 - 4-[(Z)-(2,3-dihydrobenzo[g][1,4]benzodioxine-3-carbonylhydrazinylidene)methyl]benzoic acid
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