Molecule

ID:33027

General Information
Structure
MolImage
Molecular Formula
C₇H₄INO
Molecular Mass
245.01723
Exact Mass
244.93376175
Charge
0
InChI
InChI=1S/C7H4INO/c8-5-3-7-6(9-4-5)1-2-10-7/h1-4H
InChIKey
CWYHCZNHNCLALA-UHFFFAOYSA-N
Canonic Smiles
Ic1cnc2c(c1)occ2
Isomeric Smiles
c1(cnc2c(c1)occ2)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2294345
LogD (pH = 7.4)
2.2294908
Log P
2.2294917
Molar Refractivity
45.7327
Polarizability
18.962471
Polar Surface Area
26.03
Rotatable Bonds
0
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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