Molecule

ID:71433

General Information
Structure
MolImage
Molecular Formula
C₇H₈INO₂
Molecular Mass
265.04839
Exact Mass
264.9599765
Charge
0
InChI
InChI=1S/C7H8INO2/c1-9-4-5(8)3-6(9)7(10)11-2/h3-4H,1-2H3
InChIKey
KSDPSEQHPJJWMC-UHFFFAOYSA-N
Canonic Smiles
Cn1cc(cc1C(=O)OC)I
Isomeric Smiles
c1(n(cc(c1)I)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1292286
LogD (pH = 7.4)
2.1292286
Log P
2.1292286
Molar Refractivity
50.9788
Polarizability
19.577625
Polar Surface Area
31.23
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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