(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one

Formula:C22H18O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one is a drug-like molecule.

MolName	(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one
MolecularFormula	C22H18O4
Smiles	O=C1OC(c2cc(CCCC3)c3cc2)=C/C1=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C22H18O4/c23-22-18(9-14-5-8-19-21(10-14)25-13-24-19)12-20(26-22)17-7-6-15-3-1-2-4-16(15)11-17/h5-12H,1-4,13H2
InChIK	MILICAYSCQCUOE-UHFFFAOYSA-N
TotalMolweight	346.381
Molweight	346.381
MonoisotopicMass	346.12051
CLogP	4.6914
CLogS	-5.48
H Acceptors	4
TotalSurfaceArea	258.49
Relative PSA	0.16651
PolarSurfaceArea	44.76
Druglikeness	-5.419
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
StereoCon

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