Molecule

ID:79314

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃I
Molecular Mass
212.07189
Exact Mass
212.00619842
Charge
0
InChI
InChI=1S/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3
InChIKey
ANOOTOPTCJRUPK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCI
Isomeric Smiles
ICCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.664824
LogD (pH = 7.4)
3.664824
Log P
3.664824
Molar Refractivity
42.6201
Polarizability
16.751045
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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