N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-hydroxybenzamide
Formula:C16H12N2O4F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-hydroxybenzamide |
| MolecularFormula | C16H12N2O4F4 |
| Smiles | Oc(cc1)ccc1C(N/N=C\c(ccc(OC(F)F)c1)c1OC(F)F)=O |
| InChI | InChI=1S/C16H12F4N2O4/c17-15(18)25-12-6-3-10(13(7-12)26-16(19)20)8-21-22-14(24)9-1-4-11(23)5-2-9/h1-8,15-16,23H,(H,22,24) |
| InChIK | PQJMJZJEJFGMTJ-UHFFFAOYSA-N |
| TotalMolweight | 372.273 |
| Molweight | 372.273 |
| MonoisotopicMass | 372.07332 |
| CLogP | 3.1947 |
| CLogS | -4.669 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 263.74 |
| Relative PSA | 0.26204 |
| PolarSurfaceArea | 80.15 |
| Druglikeness | 1.4985 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-hydroxybenzamide | 2 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-4-hydroxybenzamide
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