N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-hydroxybenzamide
Formula:C15H12N2O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-hydroxybenzamide |
| MolecularFormula | C15H12N2O3F2 |
| Smiles | Oc(cc1)ccc1C(N/N=C\c(cc1)ccc1OC(F)F)=O |
| InChI | InChI=1S/C15H12F2N2O3/c16-15(17)22-13-7-1-10(2-8-13)9-18-19-14(21)11-3-5-12(20)6-4-11/h1-9,15,20H,(H,19,21) |
| InChIK | YFVRLNJIQOEWGM-UHFFFAOYSA-N |
| TotalMolweight | 306.267 |
| Molweight | 306.267 |
| MonoisotopicMass | 306.081599 |
| CLogP | 3.0253 |
| CLogS | -4.047 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 228.54 |
| Relative PSA | 0.25864 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 1.4985 |
| 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 | 3 |
| Symmetricatoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-hydroxybenzamide | 2 - N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-hydroxybenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off