Molecule

ID:84033

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀INO
Molecular Mass
275.08627
Exact Mass
274.98071195
Charge
0
InChI
InChI=1S/C9H10INO/c1-6-5-8(10)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChIKey
DUBRQYZOLALJTQ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1C)I
Isomeric Smiles
N(c1c(cc(cc1)I)C)C(=O)C
Calculated Properties
JChem
Acid pKa
14.4761305
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.653322
LogD (pH = 7.4)
2.653322
Log P
2.653322
Molar Refractivity
59.3247
Polarizability
22.129887
Polar Surface Area
29.1
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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