[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]boronic acid

Formula:C11H13O4B Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]boronic acid is a drug-like molecule.

MolName	[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]boronic acid
MolecularFormula	C11H13O4B
Smiles	CCOC(/C=C/c1ccc(B(O)O)cc1)=O
InChI	InChI=1S/C11H13BO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8,14-15H,2H2,1H3
InChIK	OVNZUEJWYIMMSW-UHFFFAOYSA-N
TotalMolweight	220.031
Molweight	220.031
MonoisotopicMass	220.09069
CLogP	2.0315
CLogS	0.294
H Acceptors	4
H Donors	2
TotalSurfaceArea	180.83
Relative PSA	0.2723
PolarSurfaceArea	66.76
Druglikeness	-19.395
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	unwanted atom
Shape Index	0.75
Fragments	1
Non HAtoms	16
NonCHAtoms	5
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Symmetricatoms	3
StereoCon

Click to Load Molecule:

1 - [4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]boronic acid | 2 - [4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]boronic acid

Request More Details | [4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]boronic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments