Molecule

ID:44966

General Information
Structure
Loading...
Molecular Formula
C₇H₃BrINO
Molecular Mass
323.91329
Exact Mass
322.84427372
Charge
0
InChI
InChI=1S/C7H3BrINO/c8-4-1-6-5(10-3-4)2-7(9)11-6/h1-3H
InChIKey
AKTPLXABDGYVAH-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc2c(c1)oc(c2)I
Isomeric Smiles
c1(cnc2c(c1)oc(c2)I)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.174327
LogD (pH = 7.4)
3.1743343
Log P
3.1743343
Molar Refractivity
51.6544
Polarizability
22.154776
Polar Surface Area
26.03
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...