Molecule

ID:10555

General Information
Structure
MolImage
Molecular Formula
C₈H₇IO
Molecular Mass
246.04505
Exact Mass
245.95416284
Charge
0
InChI
InChI=1S/C8H7IO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5H,3-4H2
InChIKey
BSLVNOLUEJOXMR-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc2c(c1)CCO2
Isomeric Smiles
c1c(cc2c(c1)OCC2)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7844076
LogD (pH = 7.4)
2.7844076
Log P
2.7844076
Molar Refractivity
49.1933
Polarizability
19.050718
Polar Surface Area
9.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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