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

Formula:C25H21O4F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(5-fluoro-2-phenylmethoxyphenyl)prop-2-en-1-one
MolecularFormula	C25H21O4F
Smiles	O=C(/C=C/c(cc1)cc2c1OCCCO2)c(cc(cc1)F)c1OCc1ccccc1
InChI	InChI=1S/C25H21FO4/c26-20-9-12-23(30-17-19-5-2-1-3-6-19)21(16-20)22(27)10-7-18-8-11-24-25(15-18)29-14-4-13-28-24/h1-3,5-12,15-16H,4,13-14,17H2
InChIK	FPYMZELCSOUODX-UHFFFAOYSA-N
TotalMolweight	404.436
Molweight	404.436
MonoisotopicMass	404.142388
CLogP	5.0735
CLogS	-5.947
H Acceptors	4
TotalSurfaceArea	314.92
Relative PSA	0.13667
PolarSurfaceArea	44.76
Druglikeness	-1.7336
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	2
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments