Molecule
ID:110188
General Information
Molecular Formula
C₅H₁₁I
Molecular Mass
198.04531
Exact Mass
197.99054835
Charge
0
InChI
InChI=1S/C5H11I/c1-3-4-5(2)6/h5H,3-4H2,1-2H3
InChIKey
JUPBFIYJUCWJCT-UHFFFAOYSA-N
Canonic Smiles
CCCC(I)C
Isomeric Smiles
CCCC(C)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0884838
LogD (pH = 7.4)
3.0884838
Log P
3.0884838
Molar Refractivity
37.8861
Polarizability
14.955587
Polar Surface Area
0.0
Rotatable Bonds
2
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
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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