Molecule

ID:16199

General Information
Structure
MolImage
Molecular Formula
C₇H₈INO
Molecular Mass
249.04899
Exact Mass
248.96506188
Charge
0
InChI
InChI=1S/C7H8INO/c1-2-10-7-6(8)4-3-5-9-7/h3-5H,2H2,1H3
InChIKey
QOCXFQFGXYWCHJ-UHFFFAOYSA-N
Canonic Smiles
CCOc1ncccc1I
Isomeric Smiles
c1cnc(c(c1)I)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4780803
LogD (pH = 7.4)
2.4781117
Log P
2.478112
Molar Refractivity
48.7889
Polarizability
19.032116
Polar Surface Area
22.12
Rotatable Bonds
2
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
References
Bioactivity
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