Molecule
ID:38046
General Information
Molecular Formula
C₅H₇FN₂
Molecular Mass
114.1208832
Exact Mass
114.05932645
Charge
0
InChI
InChI=1S/C5H7FN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)
InChIKey
MBXNQRHRCODJIU-UHFFFAOYSA-N
Canonic Smiles
Cc1[nH]nc(c1F)C
Isomeric Smiles
n1[nH]c(c(c1C)F)C
Calculated Properties
JChem
Acid pKa
14.2530775
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.7508706
LogD (pH = 7.4)
0.7510607
Log P
0.7510632
Molar Refractivity
29.703
Polarizability
10.396987
Polar Surface Area
28.68
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
No Data Available
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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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