3,5-dichloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxybenzamide
Formula:C14H8N2O2Cl3F
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
3,5-dichloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | 3,5-dichloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C14H8N2O2Cl3F |
| Smiles | Oc(c(C(N/N=C\c(c(F)ccc1)c1Cl)=O)cc(Cl)c1)c1Cl |
| InChI | InChI=1S/C14H8Cl3FN2O2/c15-7-4-8(13(21)11(17)5-7)14(22)20-19-6-9-10(16)2-1-3-12(9)18/h1-6,21H,(H,20,22) |
| InChIK | KXKBNRPDTYENNM-UHFFFAOYSA-N |
| TotalMolweight | 361.587 |
| Molweight | 361.587 |
| MonoisotopicMass | 359.963537 |
| CLogP | 4.7747 |
| CLogS | -5.947 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 245.95 |
| Relative PSA | 0.19967 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 3.0898 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - 3,5-dichloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxybenzamide | 2 - 3,5-dichloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-hydroxybenzamide
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