(E)-3-(4-chlorophenyl)-2-[5-(4-fluorobenzoyl)thiophen-2-yl]prop-2-enenitrile
Formula:C20H11NOClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-2-[5-(4-fluorobenzoyl)thiophen-2-yl]prop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-2-[5-(4-fluorobenzoyl)thiophen-2-yl]prop-2-enenitrile |
| MolecularFormula | C20H11NOClFS |
| Smiles | N#C/C(/c1ccc(C(c(cc2)ccc2F)=O)s1)=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C20H11ClFNOS/c21-16-5-1-13(2-6-16)11-15(12-23)18-9-10-19(25-18)20(24)14-3-7-17(22)8-4-14/h1-11H |
| InChIK | KUXQUJBXVBPMTG-UHFFFAOYSA-N |
| TotalMolweight | 367.83 |
| Molweight | 367.83 |
| MonoisotopicMass | 367.023389 |
| CLogP | 5.1182 |
| CLogS | -6.899 |
| H Acceptors | 2 |
| TotalSurfaceArea | 274.66 |
| Relative PSA | 0.17098 |
| PolarSurfaceArea | 69.1 |
| Druglikeness | -4.0531 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(4-chlorophenyl)-2-[5-(4-fluorobenzoyl)thiophen-2-yl]prop-2-enenitrile | 2 - (E)-3-(4-chlorophenyl)-2-[5-(4-fluorobenzoyl)thiophen-2-yl]prop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off