(E)-3-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one

Formula:C17H13O3F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
MolecularFormula	C17H13O3F3S
Smiles	O=C(/C=C/c1c(C2OCCO2)ccs1)c1cc(C(F)(F)F)ccc1
InChI	InChI=1S/C17H13F3O3S/c18-17(19,20)12-3-1-2-11(10-12)14(21)4-5-15-13(6-9-24-15)16-22-7-8-23-16/h1-6,9-10,16H,7-8H2
InChIK	CZTDQOJHSWOWPF-UHFFFAOYSA-N
TotalMolweight	354.347
Molweight	354.347
MonoisotopicMass	354.053749
CLogP	3.3744
CLogS	-4.595
H Acceptors	3
TotalSurfaceArea	249.19
Relative PSA	0.21429
PolarSurfaceArea	63.77
Druglikeness	-11.547
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	4
StereoCon

Click to Load Molecule:

1 - (E)-3-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one | 2 - (E)-3-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one

Request More Details | (E)-3-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments