Molecule

ID:106822

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃I
Molecular Mass
212.07189
Exact Mass
212.00619842
Charge
0
InChI
InChI=1S/C6H13I/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3
InChIKey
QQKICFXKOIDMSQ-UHFFFAOYSA-N
Canonic Smiles
CCCC(CC)I
Isomeric Smiles
CCCC(I)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6110063
LogD (pH = 7.4)
3.6110063
Log P
3.6110063
Molar Refractivity
42.4101
Polarizability
16.753716
Polar Surface Area
0.0
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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