Molecule

ID:8032

General Information
Structure
MolImage
Molecular Formula
C₈H₇IO
Molecular Mass
246.04505
Exact Mass
245.95416284
Charge
0
InChI
InChI=1S/C8H7IO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
InChIKey
IWLHOUBDKCKJJQ-UHFFFAOYSA-N
Canonic Smiles
Ic1cccc(c1)C(=O)C
Isomeric Smiles
c1cc(cc(c1)C(=O)C)I
Calculated Properties
JChem
Acid pKa
15.987413
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.459838
LogD (pH = 7.4)
2.459838
Log P
2.459838
Molar Refractivity
49.8233
Polarizability
19.213907
Polar Surface Area
17.07
Rotatable Bonds
1
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
Molecule Details
References
Bioactivity
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