(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one

Formula:C22H18O4 Mutagenic:low Tumorigenic:low Reproductive Effective:none (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
MolecularFormula	C22H18O4
Smiles	Oc(c1ccccc1cc1)c1C(/C=C/c(cc1)cc2c1OCCCO2)=O
InChI	InChI=1S/C22H18O4/c23-19(18-9-8-16-4-1-2-5-17(16)22(18)24)10-6-15-7-11-20-21(14-15)26-13-3-12-25-20/h1-2,4-11,14,24H,3,12-13H2
InChIK	APPUXYDNPBTPBZ-UHFFFAOYSA-N
TotalMolweight	346.381
Molweight	346.381
MonoisotopicMass	346.12051
CLogP	4.4733
CLogS	-5.602
H Acceptors	4
H Donors	1
TotalSurfaceArea	266
Relative PSA	0.17346
PolarSurfaceArea	55.76
Druglikeness	-0.33209
Mutagenic	low
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	6
StereoCon

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