Molecule

ID:51542

General Information
Structure
MolImage
Molecular Formula
C₇H₆INO₂
Molecular Mass
263.03251
Exact Mass
262.94432644
Charge
0
InChI
InChI=1S/C7H6INO2/c8-5-1-2-9-7-6(5)10-3-4-11-7/h1-2H,3-4H2
InChIKey
VVTIBPQDMUEQCQ-UHFFFAOYSA-N
Canonic Smiles
Ic1ccnc2c1OCCO2
Isomeric Smiles
c1cnc2c(c1I)OCCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7920512
LogD (pH = 7.4)
1.7921072
Log P
1.7921079
Molar Refractivity
48.5345
Polarizability
19.119743
Polar Surface Area
31.35
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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