(E)-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-1-(furan-2-yl)prop-2-en-1-one

Formula:C18H12O3F2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-1-(furan-2-yl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-1-(furan-2-yl)prop-2-en-1-one
MolecularFormula	C18H12O3F2S
Smiles	O=C(/C=C/c1ccc(-c(cc2)ccc2SC(F)F)o1)c1ccco1
InChI	InChI=1S/C18H12F2O3S/c19-18(20)24-14-7-3-12(4-8-14)16-10-6-13(23-16)5-9-15(21)17-2-1-11-22-17/h1-11,18H
InChIK	AOMMKOHUJXZASS-UHFFFAOYSA-N
TotalMolweight	346.352
Molweight	346.352
MonoisotopicMass	346.047521
CLogP	5.3263
CLogS	-6.451
H Acceptors	3
TotalSurfaceArea	259.1
Relative PSA	0.22675
PolarSurfaceArea	68.65
Druglikeness	-0.94614
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	3
StereoCon

Click to Load Molecule:

1 - (E)-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-1-(furan-2-yl)prop-2-en-1-one | 2 - (E)-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-1-(furan-2-yl)prop-2-en-1-one

Request More Details | (E)-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-1-(furan-2-yl)prop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments