Molecule

ID:93487

General Information
Structure
MolImage
Molecular Formula
C₇H₆FIO
Molecular Mass
252.0248132
Exact Mass
251.94474103
Charge
0
InChI
InChI=1S/C7H6FIO/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
InChIKey
CPTMVKLYWHEOMG-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1I)F
Isomeric Smiles
O(c1cccc(c1I)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8872209
LogD (pH = 7.4)
2.8872209
Log P
2.8872209
Molar Refractivity
46.1001
Polarizability
17.906866
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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