(Z)-2-amino-3-[(2-chloro-6-fluorophenyl)methylideneamino]but-2-enedinitrile
Formula:C11H6N4ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-amino-3-[(2-chloro-6-fluorophenyl)methylideneamino]but-2-enedinitrile is a drug-like molecule.
| MolName | (Z)-2-amino-3-[(2-chloro-6-fluorophenyl)methylideneamino]but-2-enedinitrile |
| MolecularFormula | C11H6N4ClF |
| Smiles | N/C(/C#N)=C(/C#N)\N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C11H6ClFN4/c12-8-2-1-3-9(13)7(8)6-17-11(5-15)10(16)4-14/h1-3,6H,16H2 |
| InChIK | HNIDQTXEILTQGU-UHFFFAOYSA-N |
| TotalMolweight | 248.648 |
| Molweight | 248.648 |
| MonoisotopicMass | 248.026501 |
| CLogP | 2.1757 |
| CLogS | -4.399 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 194.65 |
| Relative PSA | 0.27691 |
| PolarSurfaceArea | 85.96 |
| Druglikeness | -6.7693 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-2-amino-3-[(2-chloro-6-fluorophenyl)methylideneamino]but-2-enedinitrile | 2 - (Z)-2-amino-3-[(2-chloro-6-fluorophenyl)methylideneamino]but-2-enedinitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off