Molecule

ID:8360

General Information
Structure
Molecular Formula
C₁₃H₁₁I
Molecular Mass
294.13091
Exact Mass
293.99054835
Charge
0
InChI
InChI=1S/C13H11I/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
FCUNNMLRHRWXAM-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)Cc1ccccc1
Isomeric Smiles
c1c(ccc(c1)Cc1ccccc1)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.993984
LogD (pH = 7.4)
4.993984
Log P
4.993984
Molar Refractivity
69.1577
Polarizability
26.639874
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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