(2-anilino-2-oxoethyl) (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
Molecular Formula : C19H17NO5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(2-anilino-2-oxoethyl) (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate is a drug-like molecule.
MolName : (2-anilino-2-oxoethyl) (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate |
MolecularFormula : C19H17NO5 |
Smiles : O=C(COC(/C=C/c(cc1)cc2c1OCCO2)=O)Nc1ccccc1 |
InChI : InChI=1S/C19H17NO5/c21-18(20-15-4-2-1-3-5-15)13-25-19(22)9-7-14-6-8-16-17(12-14)24-11-10-23-16/h1-9,12H,10-11,13H2,(H,20,21) |
InChIK : MREMDUUEGICFQC-UHFFFAOYSA-N |
TotalMolweight : 339.346 |
Molweight : 339.346 |
MonoisotopicMass : 339.110674 |
CLogP : 2.673 |
CLogS : -3.583 |
H Acceptors : 6 |
H Donors : 1 |
TotalSurfaceArea : 264.26 |
Relative PSA : 0.25558 |
PolarSurfaceArea : 73.86 |
Druglikeness : -6.7864 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.68 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 6 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 6 |
Symmetricatoms : 2 |
Amides : 1 |
StereoCon : |