Molecule

ID:66046

General Information
Structure
MolImage
Molecular Formula
C₇H₄IN₃O₂
Molecular Mass
289.03003
Exact Mass
288.93482438
Charge
0
InChI
InChI=1S/C7H4IN3O2/c8-6-4-9-7-5(11(12)13)2-1-3-10(6)7/h1-4H
InChIKey
NXDLLAQQLKPVLM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccn2c1ncc2I
Isomeric Smiles
c12c([N+](=O)[O-])cccn1c(cn2)I
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8977357
LogD (pH = 7.4)
1.8981533
Log P
1.8981587
Molar Refractivity
54.9225
Polarizability
20.691217
Polar Surface Area
63.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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