Molecule

ID:44795

General Information
Structure
Molecular Formula
C₇H₆INO₂
Molecular Mass
263.03251
Exact Mass
262.94432644
Charge
0
InChI
InChI=1S/C7H6INO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3
InChIKey
AKYPSJARSQSCHJ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc(c1I)C
Isomeric Smiles
c1(cccc(c1I)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3555958
LogD (pH = 7.4)
3.3555958
Log P
3.3555958
Molar Refractivity
51.7864
Polarizability
19.297243
Polar Surface Area
45.82
Rotatable Bonds
1
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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