Molecule

ID:9637

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₂NO
Molecular Mass
159.1333864
Exact Mass
159.04957029
Charge
0
InChI
InChI=1S/C7H7F2NO/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H,10H2
InChIKey
NDEZTSHWEPQVBX-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)N)F
Isomeric Smiles
C(Oc1ccc(N)cc1)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8781507
LogD (pH = 7.4)
1.9129446
Log P
1.9134068
Molar Refractivity
37.2305
Polarizability
13.540377
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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