Molecule

ID:46048

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀INO
Molecular Mass
275.08627
Exact Mass
274.98071195
Charge
0
InChI
InChI=1S/C9H10INO/c10-7-1-3-8(4-2-7)12-9-5-11-6-9/h1-4,9,11H,5-6H2
InChIKey
NEJYPHMSMQSEOM-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)OC1CNC1
Isomeric Smiles
N1CC(Oc2ccc(I)cc2)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5815632
LogD (pH = 7.4)
1.0688807
Log P
2.2683578
Molar Refractivity
56.3093
Polarizability
22.450413
Polar Surface Area
21.26
Rotatable Bonds
2
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
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References
Bioactivity
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