(E)-3-(1,3-benzodioxol-5-yl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one

Formula:C23H18O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
MolecularFormula	C23H18O4
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)c(cccc1)c1OCc1ccccc1
InChI	InChI=1S/C23H18O4/c24-20(12-10-17-11-13-22-23(14-17)27-16-26-22)19-8-4-5-9-21(19)25-15-18-6-2-1-3-7-18/h1-14H,15-16H2
InChIK	ZZLPQGVAUBCCGB-UHFFFAOYSA-N
TotalMolweight	358.392
Molweight	358.392
MonoisotopicMass	358.12051
CLogP	4.7633
CLogS	-5.892
H Acceptors	4
TotalSurfaceArea	281.05
Relative PSA	0.15314
PolarSurfaceArea	44.76
Druglikeness	-0.14699
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
StereoCon

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