(2Z,3Z)-2,3-bis(phenylhydrazinylidene)propanoic acid
Formula:C15H14N4O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(2Z,3Z)-2,3-bis(phenylhydrazinylidene)propanoic acid is a drug-like molecule.
| MolName | (2Z,3Z)-2,3-bis(phenylhydrazinylidene)propanoic acid |
| MolecularFormula | C15H14N4O2 |
| Smiles | OC(/C(/C=N\Nc1ccccc1)=N\Nc1ccccc1)=O |
| InChI | InChI=1S/C15H14N4O2/c20-15(21)14(19-18-13-9-5-2-6-10-13)11-16-17-12-7-3-1-4-8-12/h1-11,17-18H,(H,20,21) |
| InChIK | WKOCWIVJRQWMFX-UHFFFAOYSA-N |
| TotalMolweight | 282.302 |
| Molweight | 282.302 |
| MonoisotopicMass | 282.111676 |
| CLogP | 4.4593 |
| CLogS | -2.507 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 227.77 |
| Relative PSA | 0.31646 |
| PolarSurfaceArea | 86.08 |
| Druglikeness | 2.5928 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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