(2Z,3Z)-2,3-bis(phenylhydrazinylidene)butanedioic acid
Formula:C16H14N4O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2Z,3Z)-2,3-bis(phenylhydrazinylidene)butanedioic acid is a drug-like molecule.
| MolName | (2Z,3Z)-2,3-bis(phenylhydrazinylidene)butanedioic acid |
| MolecularFormula | C16H14N4O4 |
| Smiles | OC(/C(/C(/C(O)=O)=N/Nc1ccccc1)=N\Nc1ccccc1)=O |
| InChI | InChI=1S/C16H14N4O4/c21-15(22)13(19-17-11-7-3-1-4-8-11)14(16(23)24)20-18-12-9-5-2-6-10-12/h1-10,17-18H,(H,21,22)(H,23,24) |
| InChIK | JBCIWHUXUYBMAH-UHFFFAOYSA-N |
| TotalMolweight | 326.311 |
| Molweight | 326.311 |
| MonoisotopicMass | 326.101506 |
| CLogP | 3.7234 |
| CLogS | -2.196 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 250.08 |
| Relative PSA | 0.39275 |
| PolarSurfaceArea | 123.38 |
| Druglikeness | 1.9505 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 14 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (2Z,3Z)-2,3-bis(phenylhydrazinylidene)butanedioic acid | 2 - (2Z,3Z)-2,3-bis(phenylhydrazinylidene)butanedioic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off