Molecule

ID:112115

General Information
Structure
MolImage
Molecular Formula
C₄HBrO₃
Molecular Mass
176.95294
Exact Mass
175.91090589
Charge
0
InChI
InChI=1S/C4HBrO3/c5-2-1-3(6)8-4(2)7/h1H
InChIKey
YPRMWCKXOZFJGF-UHFFFAOYSA-N
Canonic Smiles
O=C1C=C(C(=O)O1)Br
Isomeric Smiles
BrC1=CC(=O)OC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1135846
LogD (pH = 7.4)
1.1135846
Log P
1.1135846
Molar Refractivity
29.0109
Polarizability
11.204969
Polar Surface Area
43.37
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation