Molecule

ID:9684

General Information
Structure
MolImage
Molecular Formula
C₉H₇FN₂
Molecular Mass
162.1636832
Exact Mass
162.05932645
Charge
0
InChI
InChI=1S/C9H7FN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
InChIKey
KKKSMWMXKUAZHK-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)n1cncc1
Isomeric Smiles
c1(ccc(cc1)n1cncc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.75937074
LogD (pH = 7.4)
1.3624253
Log P
1.4004
Molar Refractivity
54.2228
Polarizability
17.060696
Polar Surface Area
17.82
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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