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

Formula:C16H12O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
MolecularFormula	C16H12O4
Smiles	Oc(cccc1)c1C(/C=C/c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C16H12O4/c17-13-4-2-1-3-12(13)14(18)7-5-11-6-8-15-16(9-11)20-10-19-15/h1-9,17H,10H2
InChIK	CWSQRPNIIOUPKK-UHFFFAOYSA-N
TotalMolweight	268.267
Molweight	268.267
MonoisotopicMass	268.07356
CLogP	3.0695
CLogS	-4.255
H Acceptors	4
H Donors	1
TotalSurfaceArea	203.88
Relative PSA	0.22631
PolarSurfaceArea	55.76
Druglikeness	0.095325
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6
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	4
StereoCon

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