(4-chlorophenyl)methyl (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
Molecular Formula : C18H15O4Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(4-chlorophenyl)methyl (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate is a drug-like molecule.
MolName : (4-chlorophenyl)methyl (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate |
MolecularFormula : C18H15O4Cl |
Smiles : O=C(/C=C/c(cc1)cc2c1OCCO2)OCc(cc1)ccc1Cl |
InChI : InChI=1S/C18H15ClO4/c19-15-5-1-14(2-6-15)12-23-18(20)8-4-13-3-7-16-17(11-13)22-10-9-21-16/h1-8,11H,9-10,12H2 |
InChIK : NHCXZVJNCKLJAG-UHFFFAOYSA-N |
TotalMolweight : 330.766 |
Molweight : 330.766 |
MonoisotopicMass : 330.065887 |
CLogP : 3.9047 |
CLogS : -4.368 |
H Acceptors : 4 |
TotalSurfaceArea : 250.47 |
Relative PSA : 0.17184 |
PolarSurfaceArea : 44.76 |
Druglikeness : -9.9571 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.69565 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 6 |
Symmetricatoms : 2 |
StereoCon : |