Molecule

ID:54525

General Information
Structure
MolImage
Molecular Formula
C₇H₈INO₂
Molecular Mass
265.04839
Exact Mass
264.9599765
Charge
0
InChI
InChI=1S/C7H8INO2/c1-10-6-5(8)3-4-9-7(6)11-2/h3-4H,1-2H3
InChIKey
SOLADHVMMXSYGT-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)nccc1I
Isomeric Smiles
c1cnc(c(c1I)OC)OC
Calculated Properties
JChem
Rotatable Bonds
2
Lipinski's Rule of Five
true
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9635656
LogD (pH = 7.4)
1.963632
Log P
1.9636328
Molar Refractivity
50.5035
Polarizability
19.799904
Polar Surface Area
31.35
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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