Molecule

ID:121347

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆INO
Molecular Mass
283.06521
Exact Mass
282.94941182
Charge
0
InChI
InChI=1S/C10H6INO/c11-10-8(6-13)5-7-3-1-2-4-9(7)12-10/h1-6H
InChIKey
RACRQJGNJCQAFA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2ccccc2nc1I
Isomeric Smiles
n1c(c(cc2c1cccc2)C=O)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8049338
LogD (pH = 7.4)
2.804935
Log P
2.804935
Molar Refractivity
59.6339
Polarizability
23.958769
Polar Surface Area
29.96
Rotatable Bonds
1
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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