Molecule
ID:81111
General Information
Molecular Formula
C₁₀H₁₃I
Molecular Mass
260.11469
Exact Mass
260.00619842
Charge
0
InChI
InChI=1S/C10H13I/c1-6-5-10(11)9(4)8(3)7(6)2/h5H,1-4H3
InChIKey
PSTRAAIJGQNXGR-UHFFFAOYSA-N
Canonic Smiles
Cc1c(C)cc(c(c1C)C)I
Isomeric Smiles
Ic1cc(c(c(c1C)C)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.955876
LogD (pH = 7.4)
4.955876
Log P
4.955876
Molar Refractivity
59.5853
Polarizability
22.411554
Polar Surface Area
0.0
Rotatable Bonds
0
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
No Data Available
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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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