Molecule

ID:40626

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀INO
Molecular Mass
287.09697
Exact Mass
286.98071195
Charge
0
InChI
InChI=1S/C10H10INO/c11-8-3-5-9(6-4-8)12-10(13)7-1-2-7/h3-7H,1-2H2,(H,12,13)
InChIKey
OWRJMRAKRDWZHS-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CC1)Nc1ccc(cc1)I
Isomeric Smiles
C(=O)(C1CC1)Nc1ccc(I)cc1
Calculated Properties
JChem
Acid pKa
13.980984
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9196968
LogD (pH = 7.4)
2.9196968
Log P
2.9196968
Molar Refractivity
61.6827
Polarizability
23.312555
Polar Surface Area
29.1
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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