N-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
Formula:C18H12N2O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C18H12N2O2F2 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c(c(F)ccc1)c1F)=O |
| InChI | InChI=1S/C18H12F2N2O2/c19-15-6-3-7-16(20)14(15)10-21-22-18(24)13-8-11-4-1-2-5-12(11)9-17(13)23/h1-10,23H,(H,22,24) |
| InChIK | JSZDRZNXUDPRJC-UHFFFAOYSA-N |
| TotalMolweight | 326.301 |
| Molweight | 326.301 |
| MonoisotopicMass | 326.086684 |
| CLogP | 4.2519 |
| CLogS | -5.659 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 240.64 |
| Relative PSA | 0.20408 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 3.0804 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide | 2 - N-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off