Molecule

ID:86292

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈INO
Molecular Mass
297.09179
Exact Mass
296.96506188
Charge
0
InChI
InChI=1S/C11H8INO/c12-9-3-5-10(6-4-9)13-7-1-2-11(13)8-14/h1-8H
InChIKey
WUJSQGDQAWTXOA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn1c1ccc(cc1)I
Isomeric Smiles
n1(c2ccc(cc2)I)c(ccc1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9921
LogD (pH = 7.4)
2.9921
Log P
2.9921
Molar Refractivity
75.6344
Polarizability
25.247665
Polar Surface Area
22.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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