[(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(2-chloro-6-fluorophenyl)acetate
Formula:C14H11N3O2ClF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(2-chloro-6-fluorophenyl)acetate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(2-chloro-6-fluorophenyl)acetate |
| MolecularFormula | C14H11N3O2ClF |
| Smiles | N/C(/c1ncccc1)=N/OC(Cc(c(F)ccc1)c1Cl)=O |
| InChI | InChI=1S/C14H11ClFN3O2/c15-10-4-3-5-11(16)9(10)8-13(20)21-19-14(17)12-6-1-2-7-18-12/h1-7H,8H2,(H2,17,19) |
| InChIK | KUOUHIHXCIIAEI-UHFFFAOYSA-N |
| TotalMolweight | 307.711 |
| Molweight | 307.711 |
| MonoisotopicMass | 307.052382 |
| CLogP | 2.8301 |
| CLogS | -3.78 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 226.55 |
| Relative PSA | 0.26833 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -5.0705 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(2-chloro-6-fluorophenyl)acetate | 2 - [(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(2-chloro-6-fluorophenyl)acetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off