4-amino-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]benzamide
Formula:C15H13N3O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-amino-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]benzamide |
| MolecularFormula | C15H13N3O2F2 |
| Smiles | Nc(cc1)ccc1C(N/N=C\c(cccc1)c1OC(F)F)=O |
| InChI | InChI=1S/C15H13F2N3O2/c16-15(17)22-13-4-2-1-3-11(13)9-19-20-14(21)10-5-7-12(18)8-6-10/h1-9,15H,18H2,(H,20,21) |
| InChIK | CQFNCAOUTWEXKH-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 | 0.63636 |
| 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 | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-amino-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]benzamide | 2 - 4-amino-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off