(E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one

Formula:C24H18O4ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one
MolecularFormula	C24H18O4ClF
Smiles	O=C(/C=C/c1c2OCOCc2cc(Cl)c1)c(cc(cc1)F)c1OCc1ccccc1
InChI	InChI=1S/C24H18ClFO4/c25-19-10-17(24-18(11-19)14-28-15-30-24)6-8-22(27)21-12-20(26)7-9-23(21)29-13-16-4-2-1-3-5-16/h1-12H,13-15H2
InChIK	DRLSNGIVEZIPHG-UHFFFAOYSA-N
TotalMolweight	424.854
Molweight	424.854
MonoisotopicMass	424.087765
CLogP	4.8536
CLogS	-6.936
H Acceptors	4
TotalSurfaceArea	316.58
Relative PSA	0.13595
PolarSurfaceArea	44.76
Druglikeness	-1.3815
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53333
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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