Molecule

ID:9833

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃I
Molecular Mass
260.11469
Exact Mass
260.00619842
Charge
0
InChI
InChI=1S/C10H13I/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
InChIKey
WQVIVQDHNKQWTM-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)I)(C)C
Isomeric Smiles
c1c(ccc(c1)I)C(C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4472466
LogD (pH = 7.4)
4.4472466
Log P
4.4472466
Molar Refractivity
58.0864
Polarizability
22.62376
Polar Surface Area
0.0
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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