3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid
Formula:C14H10N2O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C14H10N2O2ClF |
| Smiles | OC(c1cccc(N/N=C\c(c(F)ccc2)c2Cl)c1)=O |
| InChI | InChI=1S/C14H10ClFN2O2/c15-12-5-2-6-13(16)11(12)8-17-18-10-4-1-3-9(7-10)14(19)20/h1-8,18H,(H,19,20) |
| InChIK | XHWWENPEBDVWHY-UHFFFAOYSA-N |
| TotalMolweight | 292.696 |
| Molweight | 292.696 |
| MonoisotopicMass | 292.041483 |
| CLogP | 5.0328 |
| CLogS | -4.212 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 215.11 |
| Relative PSA | 0.2283 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 0.56833 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| 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 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid | 2 - 3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid
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