Molecule

ID:15597

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁FN₂
Molecular Mass
178.2061432
Exact Mass
178.09062658
Charge
0
InChI
InChI=1S/C10H11FN2/c1-12-6-9-5-7-4-8(11)2-3-10(7)13-9/h2-5,12-13H,6H2,1H3
InChIKey
CKVSVEPRQOZBFT-UHFFFAOYSA-N
Canonic Smiles
CNCc1cc2c([nH]1)ccc(c2)F
Isomeric Smiles
[nH]1c(cc2c1ccc(c2)F)CNC
Calculated Properties
JChem
Acid pKa
15.738904
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.4515605
LogD (pH = 7.4)
-0.23199762
Log P
1.6930597
Molar Refractivity
50.4864
Polarizability
20.394184
Polar Surface Area
27.82
Rotatable Bonds
2
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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