Molecule

ID:9835

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅I
Molecular Mass
274.14127
Exact Mass
274.02184848
Charge
0
InChI
InChI=1S/C11H15I/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3
InChIKey
MTRMOYSZRPLAOL-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc(cc1)I
Isomeric Smiles
c1c(ccc(c1)I)CCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.1938863
LogD (pH = 7.4)
5.1938863
Log P
5.1938863
Molar Refractivity
62.8657
Polarizability
24.447954
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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