(E)-2-cyano-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enethioamide
Formula:C17H13N2OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enethioamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enethioamide |
| MolecularFormula | C17H13N2OFS |
| Smiles | NC(/C(/C#N)=C/c(cccc1)c1OCc(cccc1)c1F)=S |
| InChI | InChI=1S/C17H13FN2OS/c18-15-7-3-1-6-13(15)11-21-16-8-4-2-5-12(16)9-14(10-19)17(20)22/h1-9H,11H2,(H2,20,22) |
| InChIK | HAIRSYMTUPOFGE-UHFFFAOYSA-N |
| TotalMolweight | 312.367 |
| Molweight | 312.367 |
| MonoisotopicMass | 312.073261 |
| CLogP | 2.85 |
| CLogS | -4.939 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 250.78 |
| Relative PSA | 0.26649 |
| PolarSurfaceArea | 91.13 |
| Druglikeness | -6.6251 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; thio-amide/urea |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-cyano-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enethioamide | 2 - (E)-2-cyano-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enethioamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off