Molecule

ID:18560

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃IO₂
Molecular Mass
292.11349
Exact Mass
291.99602766
Charge
0
InChI
InChI=1S/C10H13IO2/c1-12-9-3-5-10(6-4-9)13-8-2-7-11/h3-6H,2,7-8H2,1H3
InChIKey
GTYRCWMYISITHE-UHFFFAOYSA-N
Canonic Smiles
ICCCOc1ccc(cc1)OC
Isomeric Smiles
c1(ccc(cc1)OCCCI)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9981258
LogD (pH = 7.4)
2.9981258
Log P
2.9981258
Molar Refractivity
61.4253
Polarizability
24.032122
Polar Surface Area
18.46
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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