Molecule

ID:44913

General Information
Structure
Molecular Formula
C₈H₁₀INO₂
Molecular Mass
279.07497
Exact Mass
278.97562657
Charge
0
InChI
InChI=1S/C8H10INO2/c1-11-8(12-2)6-3-7(9)5-10-4-6/h3-5,8H,1-2H3
InChIKey
QWDPPCPVSINUES-UHFFFAOYSA-N
Canonic Smiles
COC(c1cncc(c1)I)OC
Isomeric Smiles
c1(cncc(c1)C(OC)OC)I
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.838325
LogD (pH = 7.4)
1.8391862
Log P
1.8391972
Molar Refractivity
54.6118
Polarizability
21.60196
Polar Surface Area
31.35
Rotatable Bonds
3
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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