Molecule

ID:15594

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁FN₂
Molecular Mass
178.2061432
Exact Mass
178.09062658
Charge
0
InChI
InChI=1S/C10H11FN2/c1-6-9(11)3-2-7-4-8(5-12)13-10(6)7/h2-4,13H,5,12H2,1H3
InChIKey
JQUSGAXNXFXYCJ-UHFFFAOYSA-N
Canonic Smiles
NCc1cc2c([nH]1)c(C)c(cc2)F
Isomeric Smiles
[nH]1c(cc2c1c(c(cc2)F)C)CN
Calculated Properties
JChem
Acid pKa
15.735713
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.1438967
LogD (pH = 7.4)
0.13233228
Log P
1.7739007
Molar Refractivity
50.753
Polarizability
20.316507
Polar Surface Area
41.81
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
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References
Bioactivity
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