(E)-3-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)prop-2-en-1-one

Formula:C16H11O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)prop-2-en-1-one
MolecularFormula	C16H11O3Cl
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)c(cc1)ccc1Cl
InChI	InChI=1S/C16H11ClO3/c17-13-5-3-12(4-6-13)14(18)7-1-11-2-8-15-16(9-11)20-10-19-15/h1-9H,10H2
InChIK	CZBVVWGIPLTRQL-UHFFFAOYSA-N
TotalMolweight	286.713
Molweight	286.713
MonoisotopicMass	286.039672
CLogP	4.0212
CLogS	-5.287
H Acceptors	3
TotalSurfaceArea	212.95
Relative PSA	0.15515
PolarSurfaceArea	35.53
Druglikeness	0.15353
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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