Molecule

ID:117048

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇IO₃
Molecular Mass
360.18745
Exact Mass
360.0222424
Charge
0
InChI
InChI=1S/C14H17IO3/c1-2-7-13-8-16-14(17-9-13,18-10-13)11-3-5-12(15)6-4-11/h3-6H,2,7-10H2,1H3
InChIKey
RHPSSAOVLINMSB-UHFFFAOYSA-N
Canonic Smiles
CCCC12COC(OC1)(OC2)c1ccc(cc1)I
Isomeric Smiles
C12(OCC(CO2)(CO1)CCC)c1ccc(cc1)I
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.3052926
LogD (pH = 7.4)
4.3052926
Log P
4.3052926
Molar Refractivity
78.2408
Polarizability
30.817884
Polar Surface Area
27.69
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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