Molecule

ID:77192

General Information
Structure
MolImage
Molecular Formula
C₇H₇IO
Molecular Mass
234.03435
Exact Mass
233.95416284
Charge
0
InChI
InChI=1S/C7H7IO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKey
RSHBAGGASAJQCH-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)I
Isomeric Smiles
O(c1cccc(c1)I)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.744519
LogD (pH = 7.4)
2.744519
Log P
2.744519
Molar Refractivity
45.8837
Polarizability
18.00928
Polar Surface Area
9.23
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
No Data Available
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Molecule Details
References
Bioactivity
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