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C24H18O4Cl2 | Cheminformatics

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

Molecular Formula : C24H18O4Cl2 | Mutagenic : none | Tumorigenic : high | Reproductive Effective : high |
(E)-1-(3,5-dichloro-2-phenylmethoxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one is not a drug-like molecule.

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

MolecularFormula : C24H18O4Cl2

Smiles : O=C(/C=C/c(cc1)cc2c1OCCO2)c1cc(Cl)cc(Cl)c1OCc1ccccc1

InChI : InChI=1S/C24H18Cl2O4/c25-18-13-19(24(20(26)14-18)30-15-17-4-2-1-3-5-17)21(27)8-6-16-7-9-22-23(12-16)29-11-10-28-22/h1-9,12-14H,10-11,15H2

InChIK : KBRDSYJNSDGBBE-UHFFFAOYSA-N

TotalMolweight : 441.309

Molweight : 441.309

MonoisotopicMass : 440.058214

CLogP : 5.8427

CLogS : -6.835

H Acceptors : 4

TotalSurfaceArea : 325.65

Relative PSA : 0.13217

PolarSurfaceArea : 44.76

Druglikeness : -6.9139

Mutagenic : none

Tumorigenic : high

Reproductive Effective : high

Irritant : high

Nasty Functions :

Shape Index : 0.56667

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 6

Symmetricatoms : 2

StereoCon :

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