(E)-2-chloro-3-fluorobut-2-enedinitrile
Formula:C4N2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-chloro-3-fluorobut-2-enedinitrile is a drug-like molecule.
| MolName | (E)-2-chloro-3-fluorobut-2-enedinitrile |
| MolecularFormula | C4N2ClF |
| Smiles | N#C/C(/F)=C(/C#N)\Cl |
| InChI | InChI=1S/C4ClFN2/c5-3(1-7)4(6)2-8 |
| InChIK | ZMPXHGFFNNLJPN-UHFFFAOYSA-N |
| TotalMolweight | 130.509 |
| Molweight | 130.509 |
| MonoisotopicMass | 129.973403 |
| CLogP | 1.121 |
| CLogS | -2.796 |
| H Acceptors | 2 |
| TotalSurfaceArea | 101.61 |
| Relative PSA | 0.2669 |
| PolarSurfaceArea | 47.58 |
| Druglikeness | -8.5342 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 8 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCon |
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