Molecule
ID:84648
General Information
Molecular Formula
C₁₁H₁₃IO₂
Molecular Mass
304.12419
Exact Mass
303.99602766
Charge
0
InChI
InChI=1S/C11H13IO2/c12-8-4-5-9-14-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKey
VVPUIKNICYCXJZ-UHFFFAOYSA-N
Canonic Smiles
ICCCCOC(=O)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)OCCCCI
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.834308
LogD (pH = 7.4)
3.834308
Log P
3.834308
Molar Refractivity
65.1688
Polarizability
25.24877
Polar Surface Area
26.3
Rotatable Bonds
6
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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