Molecule

ID:32946

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrINO
Molecular Mass
299.89189
Exact Mass
298.84427372
Charge
0
InChI
InChI=1S/C5H3BrINO/c6-5-4(9)1-3(7)2-8-5/h1-2,9H
InChIKey
IWBJXACFIJFJHB-UHFFFAOYSA-N
Canonic Smiles
Ic1cnc(c(c1)O)Br
Isomeric Smiles
c1(cnc(c(c1)O)Br)I
Calculated Properties
JChem
Acid pKa
6.6548395
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3265202
LogD (pH = 7.4)
1.5893533
Log P
2.3552272
Molar Refractivity
47.7095
Polarizability
18.616858
Polar Surface Area
33.12
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