Molecule

ID:32463

General Information
Structure
MolImage
Molecular Formula
C₇H₈INO₂
Molecular Mass
265.04839
Exact Mass
264.9599765
Charge
0
InChI
InChI=1S/C7H8INO2/c1-10-5-3-4-6(8)9-7(5)11-2/h3-4H,1-2H3
InChIKey
FTFRZLORDYKKMJ-UHFFFAOYSA-N
Canonic Smiles
COc1nc(I)ccc1OC
Isomeric Smiles
c1c(nc(c(c1)OC)OC)I
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9962202
LogD (pH = 7.4)
1.9962205
Log P
1.9962205
Molar Refractivity
50.2116
Polarizability
19.869621
Polar Surface Area
31.35
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
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Molecule Details
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References
Bioactivity
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