[(Z)-(3-fluorophenyl)methylideneamino] 2-chloropyridine-3-carboxylate
Formula:C13H8N2O2ClF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-(3-fluorophenyl)methylideneamino] 2-chloropyridine-3-carboxylate is a drug-like molecule.
| MolName | [(Z)-(3-fluorophenyl)methylideneamino] 2-chloropyridine-3-carboxylate |
| MolecularFormula | C13H8N2O2ClF |
| Smiles | O=C(c1cccnc1Cl)O/N=C\c1cc(F)ccc1 |
| InChI | InChI=1S/C13H8ClFN2O2/c14-12-11(5-2-6-16-12)13(18)19-17-8-9-3-1-4-10(15)7-9/h1-8H |
| InChIK | RZXPHQNFJQOEKR-UHFFFAOYSA-N |
| TotalMolweight | 278.67 |
| Molweight | 278.67 |
| MonoisotopicMass | 278.025833 |
| CLogP | 3.7214 |
| CLogS | -3.789 |
| H Acceptors | 4 |
| TotalSurfaceArea | 206.06 |
| Relative PSA | 0.22091 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -4.6275 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-(3-fluorophenyl)methylideneamino] 2-chloropyridine-3-carboxylate | 2 - [(Z)-(3-fluorophenyl)methylideneamino] 2-chloropyridine-3-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off