Molecule

ID:114695

General Information
Structure
MolImage
Molecular Formula
C₉H₇FN₂
Molecular Mass
162.1636832
Exact Mass
162.05932645
Charge
0
InChI
InChI=1S/C9H7FN2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-5H,(H2,11,12)
InChIKey
PFULPFXDXVNQCQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccnc2c1cccc2F
Isomeric Smiles
c12c(nccc1N)c(F)ccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0968937
LogD (pH = 7.4)
1.4376123
Log P
1.4446764
Molar Refractivity
44.8961
Polarizability
17.727894
Polar Surface Area
38.91
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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