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C24H20O4 | Cheminformatics
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(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one

Molecular Formula : C24H20O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one is a drug-like molecule.

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

MolecularFormula : C24H20O4

Smiles : O=C(/C=C/c(cc1)cc2c1OCCO2)c(cccc1)c1OCc1ccccc1

InChI : InChI=1S/C24H20O4/c25-21(12-10-18-11-13-23-24(16-18)27-15-14-26-23)20-8-4-5-9-22(20)28-17-19-6-2-1-3-7-19/h1-13,16H,14-15,17H2

InChIK : TYWWUXORZPJQEN-UHFFFAOYSA-N

TotalMolweight : 372.419

Molweight : 372.419

MonoisotopicMass : 372.13616

CLogP : 4.6307

CLogS : -5.363

H Acceptors : 4

TotalSurfaceArea : 294.81

Relative PSA : 0.14599

PolarSurfaceArea : 44.76

Druglikeness : -7.0175

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.60714

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 6

Symmetricatoms : 2

StereoCon :

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