(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)prop-2-enamide
Molecular Formula : C17H14NO3F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)prop-2-enamide is a drug-like molecule.
MolName : (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)prop-2-enamide |
MolecularFormula : C17H14NO3F |
Smiles : O=C(/C=C/c1cccc(F)c1)Nc(cc1)cc2c1OCCO2 |
InChI : InChI=1S/C17H14FNO3/c18-13-3-1-2-12(10-13)4-7-17(20)19-14-5-6-15-16(11-14)22-9-8-21-15/h1-7,10-11H,8-9H2,(H,19,20) |
InChIK : JNEFDWZKYGIBLU-UHFFFAOYSA-N |
TotalMolweight : 299.3 |
Molweight : 299.3 |
MonoisotopicMass : 299.095772 |
CLogP : 3.2159 |
CLogS : -3.994 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 229.1 |
Relative PSA : 0.19424 |
PolarSurfaceArea : 47.56 |
Druglikeness : -8.8617 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.63636 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
Amides : 1 |
StereoCon : |