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C19H14O4 | Cheminformatics

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

Molecular Formula : C19H14O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one is a drug-like molecule.

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

MolecularFormula : C19H14O4

Smiles : O=C(/C=C/c(cc1)cc2c1OCCO2)c1cc(cccc2)c2o1

InChI : InChI=1S/C19H14O4/c20-15(18-12-14-3-1-2-4-16(14)23-18)7-5-13-6-8-17-19(11-13)22-10-9-21-17/h1-8,11-12H,9-10H2

InChIK : IDFAZSZLKUMPMI-UHFFFAOYSA-N

TotalMolweight : 306.316

Molweight : 306.316

MonoisotopicMass : 306.08921

CLogP : 3.7882

CLogS : -5.205

H Acceptors : 4

TotalSurfaceArea : 235.58

Relative PSA : 0.20014

PolarSurfaceArea : 48.67

Druglikeness : -6.1919

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.6087

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 3

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 4

StereoCon :

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