Molecule

ID:80699

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈INO
Molecular Mass
297.09179
Exact Mass
296.96506188
Charge
0
InChI
InChI=1S/C11H8INO/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H
InChIKey
JCEXQQNAXWYXRX-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(nc1)Oc1ccccc1
Isomeric Smiles
n1c(ccc(c1)I)Oc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7792604
LogD (pH = 7.4)
3.7792625
Log P
3.7792625
Molar Refractivity
63.8179
Polarizability
24.843845
Polar Surface Area
22.12
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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