Molecule

ID:8510

General Information
Structure
MolImage
Molecular Formula
C₈H₇IO₂
Molecular Mass
262.04445
Exact Mass
261.94907746
Charge
0
InChI
InChI=1S/C8H7IO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3
InChIKey
BXXLTVBTDZXPTN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1I
Isomeric Smiles
c1ccc(c(c1)C(=O)OC)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9056673
LogD (pH = 7.4)
2.9056673
Log P
2.9056673
Molar Refractivity
51.4458
Polarizability
19.989206
Polar Surface Area
26.3
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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