Molecule

ID:44205

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆INO₂
Molecular Mass
299.06461
Exact Mass
298.94432644
Charge
0
InChI
InChI=1S/C10H6INO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
InChIKey
GIXQASIEVHMYQH-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccc(cc1)I
Isomeric Smiles
N1(C(=O)C=CC1=O)c1ccc(cc1)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1746752
LogD (pH = 7.4)
2.174676
Log P
2.1746762
Molar Refractivity
61.3882
Polarizability
23.232042
Polar Surface Area
37.38
Rotatable Bonds
1
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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