Molecule

ID:47248

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClINO
Molecular Mass
325.57379
Exact Mass
324.97303972
Charge
0
InChI
InChI=1S/C10H12INO.ClH/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10;/h1-4,10,12H,5-7H2;1H
InChIKey
KBCDLDAVLARFGX-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)OC1CNCC1.Cl
Isomeric Smiles
N1CCC(Oc2ccc(I)cc2)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.90204036
LogD (pH = 7.4)
-0.4140775
Log P
2.3283174
Molar Refractivity
61.1747
Polarizability
24.262535
Polar Surface Area
21.26
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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