Molecule

ID:23731

General Information
Structure
MolImage
Molecular Formula
C₇H₆INO₂
Molecular Mass
263.03251
Exact Mass
262.94432644
Charge
0
InChI
InChI=1S/C7H6INO2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3
InChIKey
XXOKMYMXDALOEN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccnc(c1)I
Isomeric Smiles
c1cnc(cc1C(=O)OC)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7205812
LogD (pH = 7.4)
1.7205825
Log P
1.7205825
Molar Refractivity
48.997
Polarizability
19.282179
Polar Surface Area
39.19
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
References
Bioactivity
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