4-amino-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide
Formula:C15H13N3O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-amino-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide |
| MolecularFormula | C15H13N3O2F2 |
| Smiles | Nc(cc1)ccc1C(N/N=C\c(cc1)ccc1OC(F)F)=O |
| InChI | InChI=1S/C15H13F2N3O2/c16-15(17)22-13-7-1-10(2-8-13)9-19-20-14(21)11-3-5-12(18)6-4-11/h1-9,15H,18H2,(H,20,21) |
| InChIK | YZFTYRZIUJRNMM-UHFFFAOYSA-N |
| TotalMolweight | 305.283 |
| Molweight | 305.283 |
| MonoisotopicMass | 305.097583 |
| CLogP | 2.6937 |
| CLogS | -4.419 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 230.71 |
| Relative PSA | 0.26561 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | 1.4705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 4-amino-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide | 2 - 4-amino-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide
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