Molecule

ID:65856

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClIO
Molecular Mass
296.53257
Exact Mass
295.94649062
Charge
0
InChI
InChI=1S/C9H10ClIO/c1-9(2)7-5-3-4-6-8(7)11(10)12-9/h3-6H,1-2H3
InChIKey
HEBYOYIIQNKPGQ-UHFFFAOYSA-N
Canonic Smiles
Cl[I]1OC(c2c1cccc2)(C)C
Isomeric Smiles
c1ccc2c(c1)C(O[I]2Cl)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.046724
LogD (pH = 7.4)
4.046724
Log P
4.046724
Molar Refractivity
60.2153
Polarizability
24.004606
Polar Surface Area
9.23
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
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Molecule Details
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References
Bioactivity
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