Molecule
ID:98970
General Information
Molecular Formula
C₈H₇F₂NO₂
Molecular Mass
187.1434864
Exact Mass
187.04448491
Charge
0
InChI
InChI=1S/C8H7F2NO2/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3H,1H3,(H2,11,12)
InChIKey
MUWAUQYNHWUWOX-UHFFFAOYSA-N
Canonic Smiles
COc1c(F)cc(cc1F)C(=O)N
Isomeric Smiles
NC(=O)c1cc(c(c(c1)F)OC)F
Calculated Properties
JChem
Acid pKa
13.40771
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9516187
LogD (pH = 7.4)
0.9516191
Log P
0.95161873
Molar Refractivity
42.0324
Polarizability
15.27142
Polar Surface Area
52.32
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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