Molecule

ID:63586

General Information
Structure
MolImage
Molecular Formula
C₈H₇FN₂
Molecular Mass
150.1529832
Exact Mass
150.05932645
Charge
0
InChI
InChI=1S/C8H7FN2/c9-7-4-6(10)3-5-1-2-11-8(5)7/h1-4,11H,10H2
InChIKey
IBLGHVMLQMHMSQ-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(F)c2c(c1)cc[nH]2
Isomeric Smiles
c12c(cc(cc1cc[nH]2)N)F
Calculated Properties
JChem
Acid pKa
15.760868
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.3853782
LogD (pH = 7.4)
1.3857787
Log P
1.3857838
Molar Refractivity
42.0613
Polarizability
16.319036
Polar Surface Area
41.81
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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