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

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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