Molecule

ID:51670

General Information
Structure
MolImage
Molecular Formula
C₈H₇FN₂
Molecular Mass
150.1529832
Exact Mass
150.05932645
Charge
0
InChI
InChI=1S/C8H7FN2/c1-5-6-2-3-10-8(6)11-4-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey
VUPPZIXSDNWZIT-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc2c(c1C)cc[nH]2
Isomeric Smiles
c1(cnc2c(c1C)cc[nH]2)F
Calculated Properties
JChem
Acid pKa
15.2624655
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8772467
LogD (pH = 7.4)
1.8779123
Log P
1.8779207
Molar Refractivity
40.1978
Polarizability
15.396417
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
References
Bioactivity
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