Molecule

ID:9957

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁I
Molecular Mass
246.08811
Exact Mass
245.99054835
Charge
0
InChI
InChI=1S/C9H11I/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
InChIKey
GTPNXFKONRIHRW-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)C)I
Isomeric Smiles
c1(I)c(C)cc(cc1C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4424543
LogD (pH = 7.4)
4.4424543
Log P
4.4424543
Molar Refractivity
54.5441
Polarizability
20.66724
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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