Molecule

ID:50756

General Information
Structure
MolImage
Molecular Formula
C₇H₆INO₂
Molecular Mass
263.03251
Exact Mass
262.94432644
Charge
0
InChI
InChI=1S/C7H6INO2/c1-11-7-5(4-10)6(8)2-3-9-7/h2-4H,1H3
InChIKey
GNBKAOHTTIVAMT-UHFFFAOYSA-N
Canonic Smiles
COc1nccc(c1C=O)I
Isomeric Smiles
c1(c(nccc1I)OC)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8337964
LogD (pH = 7.4)
1.8338064
Log P
1.8338065
Molar Refractivity
50.6243
Polarizability
19.20468
Polar Surface Area
39.19
Rotatable Bonds
2
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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