Molecule

ID:54866

General Information
Structure
MolImage
Molecular Formula
C₇H₈INO₂
Molecular Mass
265.04839
Exact Mass
264.9599765
Charge
0
InChI
InChI=1S/C7H8INO2/c1-2-11-7(10)6-3-5(8)4-9-6/h3-4,9H,2H2,1H3
InChIKey
UPKCWRCTDUDSDG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(c[nH]1)I
Isomeric Smiles
c1(cc(c[nH]1)I)C(=O)OCC
Calculated Properties
JChem
Acid pKa
11.318727
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2623599
LogD (pH = 7.4)
2.26231
Log P
2.2623603
Molar Refractivity
50.8307
Polarizability
19.648136
Polar Surface Area
42.09
Rotatable Bonds
3
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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