Molecule

ID:68278

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀FN
Molecular Mass
163.1915032
Exact Mass
163.07972755
Charge
0
InChI
InChI=1S/C10H10FN/c11-7-1-2-9-8(5-7)10(3-4-10)6-12-9/h1-2,5,12H,3-4,6H2
InChIKey
HJFDQUZANMKTQT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)C1(CC1)CN2
Isomeric Smiles
C12(CC1)CNc1c2cc(cc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8685455
LogD (pH = 7.4)
1.9073442
Log P
1.9078622
Molar Refractivity
46.8453
Polarizability
16.953314
Polar Surface Area
12.03
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
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Molecule Details
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References
Bioactivity
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