4-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzoic acid
Formula:C14H10N2O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C14H10N2O2F2 |
| Smiles | OC(c1ccc(/C=N\Nc(ccc(F)c2)c2F)cc1)=O |
| InChI | InChI=1S/C14H10F2N2O2/c15-11-5-6-13(12(16)7-11)18-17-8-9-1-3-10(4-2-9)14(19)20/h1-8,18H,(H,19,20) |
| InChIK | TTWUQQLVIUQQFT-UHFFFAOYSA-N |
| TotalMolweight | 276.241 |
| Molweight | 276.241 |
| MonoisotopicMass | 276.071034 |
| CLogP | 4.5276 |
| CLogS | -3.79 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 206.04 |
| Relative PSA | 0.23835 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 0.52098 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzoic acid
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