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C24H19O4F | Cheminformatics
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(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one

Molecular Formula : C24H19O4F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName : (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one

MolecularFormula : C24H19O4F

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

InChI : InChI=1S/C24H19FO4/c25-19-8-11-22(29-16-18-4-2-1-3-5-18)20(15-19)21(26)9-6-17-7-10-23-24(14-17)28-13-12-27-23/h1-11,14-15H,12-13,16H2

InChIK : NIYHCDRQPFHLCZ-UHFFFAOYSA-N

TotalMolweight : 390.409

Molweight : 390.409

MonoisotopicMass : 390.126738

CLogP : 4.7315

CLogS : -5.677

H Acceptors : 4

TotalSurfaceArea : 301.16

Relative PSA : 0.14291

PolarSurfaceArea : 44.76

Druglikeness : -8.3575

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.58621

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 6

Symmetricatoms : 2

StereoCon :

Click to Load Molecule:
1 - (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one
2 - (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one
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