Molecule

ID:103201

General Information
Structure
MolImage
Molecular Formula
C₉H₅I₂NO
Molecular Mass
396.95104
Exact Mass
396.84605979
Charge
0
InChI
InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
InChIKey
UXZFQZANDVDGMM-UHFFFAOYSA-N
Canonic Smiles
Ic1cc(I)c2c(c1O)nccc2
Isomeric Smiles
Oc1c(I)cc(I)c2cccnc12
Calculated Properties
JChem
Acid pKa
7.386588
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6746104
LogD (pH = 7.4)
3.378928
Log P
3.685224
Molar Refractivity
68.6852
Polarizability
27.999247
Polar Surface Area
33.12
Rotatable Bonds
0
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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