Molecule

ID:9630

General Information
Structure
Molecular Formula
C₇H₇F₂NO
Molecular Mass
159.1333864
Exact Mass
159.04957029
Charge
0
InChI
InChI=1S/C7H7F2NO/c8-7(9)11-6-4-2-1-3-5(6)10/h1-4,7H,10H2
InChIKey
CGNAIUUCOVWLLL-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccccc1N)F
Isomeric Smiles
O(C(F)F)c1c(N)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9069185
LogD (pH = 7.4)
1.9133246
Log P
1.9134068
Molar Refractivity
37.2305
Polarizability
13.542321
Polar Surface Area
35.25
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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