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

Formula:C18H16O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
MolecularFormula	C18H16O4
Smiles	Oc(cccc1)c1C(/C=C/c(cc1)cc2c1OCCCO2)=O
InChI	InChI=1S/C18H16O4/c19-15-5-2-1-4-14(15)16(20)8-6-13-7-9-17-18(12-13)22-11-3-10-21-17/h1-2,4-9,12,19H,3,10-11H2
InChIK	CZBXCNIZJYDXHG-UHFFFAOYSA-N
TotalMolweight	296.321
Molweight	296.321
MonoisotopicMass	296.10486
CLogP	3.2789
CLogS	-3.996
H Acceptors	4
H Donors	1
TotalSurfaceArea	231.4
Relative PSA	0.19939
PolarSurfaceArea	55.76
Druglikeness	-0.33209
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
StereoCon

Click to Load Molecule:

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

Request More Details | (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments