Molecule

ID:9688

General Information
Structure
MolImage
Molecular Formula
C₉H₇FN₂
Molecular Mass
162.1636832
Exact Mass
162.05932645
Charge
0
InChI
InChI=1S/C9H7FN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)
InChIKey
STTNBHIFTZEPSH-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1cc[nH]n1
Isomeric Smiles
[nH]1nc(cc1)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
12.157261
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9871869
LogD (pH = 7.4)
1.9873487
Log P
1.9873582
Molar Refractivity
44.9755
Polarizability
17.72179
Polar Surface Area
28.68
Rotatable Bonds
1
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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