Molecule

ID:66728

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)5-2-3-9-4-6(5)8/h2-4H,1H3
InChIKey
XZUYSNLMTTZFDY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccncc1I
Isomeric Smiles
c1c(c(ccn1)C(=O)OC)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6878868
LogD (pH = 7.4)
1.6879935
Log P
1.6879948
Molar Refractivity
49.2889
Polarizability
19.212185
Polar Surface Area
39.19
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
No Data Available
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Molecule Details
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References
Bioactivity
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