2-[4-[(E)-3-[4-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]phenoxy]acetic acid

Formula:C18H14O5F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(E)-3-[4-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-[(E)-3-[4-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]phenoxy]acetic acid
MolecularFormula	C18H14O5F2
Smiles	OC(COc1ccc(/C=C/C(c(cc2)ccc2OC(F)F)=O)cc1)=O
InChI	InChI=1S/C18H14F2O5/c19-18(20)25-15-8-4-13(5-9-15)16(21)10-3-12-1-6-14(7-2-12)24-11-17(22)23/h1-10,18H,11H2,(H,22,23)
InChIK	CDEOPJQWGQTUGZ-UHFFFAOYSA-N
TotalMolweight	348.3
Molweight	348.3
MonoisotopicMass	348.080931
CLogP	2.5332
CLogS	-4.255
H Acceptors	5
H Donors	1
TotalSurfaceArea	260.33
Relative PSA	0.22733
PolarSurfaceArea	72.83
Druglikeness	-2.2535
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	5
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-[4-[(E)-3-[4-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]phenoxy]acetic acid | 2 - 2-[4-[(E)-3-[4-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]phenoxy]acetic acid

Request More Details | 2-[4-[(E)-3-[4-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]phenoxy]acetic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments