N-[(Z)-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
Formula:C20H14N3O2Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C20H14N3O2Cl2F |
| Smiles | O=C(c1cnccc1)N/N=C\c(cc(cc1)Cl)c1OCc(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C20H14Cl2FN3O2/c21-15-6-7-19(28-12-16-17(22)4-1-5-18(16)23)14(9-15)11-25-26-20(27)13-3-2-8-24-10-13/h1-11H,12H2,(H,26,27) |
| InChIK | RCMKPLNXNBYBFQ-UHFFFAOYSA-N |
| TotalMolweight | 418.254 |
| Molweight | 418.254 |
| MonoisotopicMass | 417.044709 |
| CLogP | 4.8616 |
| CLogS | -6.053 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 306.46 |
| Relative PSA | 0.18593 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 2.7114 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide | 2 - N-[(Z)-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off