Molecule
ID:100149
General Information
Molecular Formula
C₇H₃F₂NO
Molecular Mass
155.1016264
Exact Mass
155.01827016
Charge
0
InChI
InChI=1S/C7H3F2NO/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2,11H
InChIKey
KEIYYIGMDPTAPL-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(F)cc(cc1F)O
Isomeric Smiles
N#Cc1c(cc(cc1F)O)F
Calculated Properties
JChem
Acid pKa
6.266894
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7431545
LogD (pH = 7.4)
0.68865955
Log P
1.8111806
Molar Refractivity
34.1933
Polarizability
12.315764
Polar Surface Area
44.02
Rotatable Bonds
0
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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