Molecule

ID:59321

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉IN₂O₂
Molecular Mass
338.18523
Exact Mass
338.04912586
Charge
0
InChI
InChI=1S/C11H19IN2O2/c1-5-15-10(16-6-2)7-14-9(4)11(12)8(3)13-14/h10H,5-7H2,1-4H3
InChIKey
VCJRGKIWJQWXGS-UHFFFAOYSA-N
Canonic Smiles
CCOC(Cn1nc(c(c1C)I)C)OCC
Isomeric Smiles
n1(nc(c(c1C)I)C)CC(OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6057582
LogD (pH = 7.4)
2.6065152
Log P
2.6065247
Molar Refractivity
84.3869
Polarizability
28.252142
Polar Surface Area
36.28
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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