(E)-1-(2,4-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
Molecular Formula : C17H12O3Cl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-1-(2,4-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one is a drug-like molecule.
MolName : (E)-1-(2,4-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one |
MolecularFormula : C17H12O3Cl2 |
Smiles : O=C(/C=C/c(cc1)cc2c1OCCO2)c(ccc(Cl)c1)c1Cl |
InChI : InChI=1S/C17H12Cl2O3/c18-12-3-4-13(14(19)10-12)15(20)5-1-11-2-6-16-17(9-11)22-8-7-21-16/h1-6,9-10H,7-8H2 |
InChIK : NENWTIMELVGFAW-UHFFFAOYSA-N |
TotalMolweight : 335.185 |
Molweight : 335.185 |
MonoisotopicMass : 334.016349 |
CLogP : 4.4946 |
CLogS : -5.494 |
H Acceptors : 3 |
TotalSurfaceArea : 242.13 |
Relative PSA : 0.13646 |
PolarSurfaceArea : 35.53 |
Druglikeness : -6.9139 |
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 |
StereoCon : |