| MolName | 2-chloro-5-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C15H11N2O3ClF2 |
| Smiles | OC(c(cc(cc1)N/N=C\c(cccc2)c2OC(F)F)c1Cl)=O |
| InChI | InChI=1S/C15H11ClF2N2O3/c16-12-6-5-10(7-11(12)14(21)22)20-19-8-9-3-1-2-4-13(9)23-15(17)18/h1-8,15,20H,(H,21,22) |
| InChIK | QUEHZLPABWWSBF-UHFFFAOYSA-N |
| TotalMolweight | 340.712 |
| Molweight | 340.712 |
| MonoisotopicMass | 340.042626 |
| CLogP | 5.1014 |
| CLogS | -4.52 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 243.96 |
| Relative PSA | 0.24229 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | -0.88877 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-chloro-5-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid | 2 - 2-chloro-5-[(2Z)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid