4-[(Z)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]benzoic acid
Formula:C13H10N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C13H10N2O3 |
| Smiles | OC(c1ccc(/C=N\N=C/c2ccco2)cc1)=O |
| InChI | InChI=1S/C13H10N2O3/c16-13(17)11-5-3-10(4-6-11)8-14-15-9-12-2-1-7-18-12/h1-9H,(H,16,17) |
| InChIK | JBSXGDWEDYXFMP-UHFFFAOYSA-N |
| TotalMolweight | 242.233 |
| Molweight | 242.233 |
| MonoisotopicMass | 242.069143 |
| CLogP | 3.4594 |
| CLogS | -3.827 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 196.33 |
| Relative PSA | 0.32226 |
| PolarSurfaceArea | 75.16 |
| Druglikeness | 1.3534 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]benzoic acid
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