Molecule

ID:51687

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇IN₂O₂
Molecular Mass
338.10065
Exact Mass
337.95522547
Charge
0
InChI
InChI=1S/C12H7IN2O2/c13-9-7-14-3-1-11(9)17-8-5-12-10(15-6-8)2-4-16-12/h1-7H
InChIKey
NMSOBOMQTMZXNE-UHFFFAOYSA-N
Canonic Smiles
Ic1cnccc1Oc1cnc2c(c1)occ2
Isomeric Smiles
c1cncc(c1Oc1cnc2c(c1)occ2)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4830792
LogD (pH = 7.4)
2.5117261
Log P
2.5121064
Molar Refractivity
69.8166
Polarizability
28.364344
Polar Surface Area
48.15
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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