Molecule

ID:19166

General Information
Structure
Molecular Formula
C₆H₇IN₂O₂
Molecular Mass
266.03645
Exact Mass
265.95522547
Charge
0
InChI
InChI=1S/C6H7IN2O2/c1-10-5-4(7)3-8-6(9-5)11-2/h3H,1-2H3
InChIKey
KNTMOGOYRYYUIE-UHFFFAOYSA-N
Canonic Smiles
COc1ncc(c(n1)OC)I
Isomeric Smiles
O(C)c1nc(OC)ncc1I
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9365377
LogD (pH = 7.4)
1.9365804
Log P
1.9365809
Molar Refractivity
49.2707
Polarizability
19.046965
Polar Surface Area
44.24
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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