4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]benzoic acid
Formula:C22H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C22H16N2O3 |
| Smiles | OC(c1ccc(/C=N\N=C(/C(c2ccccc2)=O)\c2ccccc2)cc1)=O |
| InChI | InChI=1S/C22H16N2O3/c25-21(18-9-5-2-6-10-18)20(17-7-3-1-4-8-17)24-23-15-16-11-13-19(14-12-16)22(26)27/h1-15H,(H,26,27) |
| InChIK | RVEFDAGYJKOHCQ-UHFFFAOYSA-N |
| TotalMolweight | 356.38 |
| Molweight | 356.38 |
| MonoisotopicMass | 356.116093 |
| CLogP | 4.7622 |
| CLogS | -5.821 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 282.36 |
| Relative PSA | 0.22029 |
| PolarSurfaceArea | 79.09 |
| Druglikeness | 2.5309 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]benzoic acid
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