Molecule

ID:100687

General Information
Structure
MolImage
Molecular Formula
C₈H₇FN₂
Molecular Mass
150.1529832
Exact Mass
150.05932645
Charge
0
InChI
InChI=1S/C8H7FN2/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3,(H,10,11)
InChIKey
IWDUKSHNFODGKM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)nc([nH]2)C
Isomeric Smiles
n1c([nH]c2c1cc(cc2)F)C
Calculated Properties
JChem
Acid pKa
12.775603
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.72417843
LogD (pH = 7.4)
1.4902083
Log P
1.5252707
Molar Refractivity
39.6256
Polarizability
16.05107
Polar Surface Area
28.68
Rotatable Bonds
0
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
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References
Bioactivity
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