Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C17H12O3Cl2 | Cheminformatics
Menu

(E)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-chlorophenyl)prop-2-en-1-one

Molecular Formula : C17H12O3Cl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |
(E)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-chlorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName : (E)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-chlorophenyl)prop-2-en-1-one

MolecularFormula : C17H12O3Cl2

Smiles : O=C(/C=C/c(cc1)ccc1Cl)c(cc1OCCOc1c1)c1Cl

InChI : InChI=1S/C17H12Cl2O3/c18-12-4-1-11(2-5-12)3-6-15(20)13-9-16-17(10-14(13)19)22-8-7-21-16/h1-6,9-10H,7-8H2

InChIK : LMMRECHJQYMQAA-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 : high

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

Symmetricatoms : 2

StereoCon :

Click to Load Molecule:
1 - (E)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-chlorophenyl)prop-2-en-1-one
2 - (E)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-chlorophenyl)prop-2-en-1-one
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | (E)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-chlorophenyl)prop-2-en-1-one


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments