Molecule

ID:8650

General Information
Structure
Molecular Formula
C₈H₉IO
Molecular Mass
248.06093
Exact Mass
247.96981291
Charge
0
InChI
InChI=1S/C8H9IO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3
InChIKey
OASGOCIPNQWXLR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1I)C
Isomeric Smiles
c1c(c(cc(c1)C)I)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2579405
LogD (pH = 7.4)
3.2579405
Log P
3.2579405
Molar Refractivity
50.9249
Polarizability
19.753817
Polar Surface Area
9.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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