Molecule

ID:114718

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃FN₂
Molecular Mass
192.2327232
Exact Mass
192.10627665
Charge
0
InChI
InChI=1S/C11H13FN2/c1-7-9(4-5-13)10-6-8(12)2-3-11(10)14-7/h2-3,6,14H,4-5,13H2,1H3
InChIKey
AXXQDWYYFLLDCG-UHFFFAOYSA-N
Canonic Smiles
Cc1c(CCN)c2c([nH]1)ccc(c2)F
Isomeric Smiles
[nH]1c(c(c2c1ccc(c2)F)CCN)C
Calculated Properties
JChem
Acid pKa
17.328396
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.1791153
LogD (pH = 7.4)
-0.44517526
Log P
1.8287007
Molar Refractivity
55.739
Polarizability
22.080315
Polar Surface Area
41.81
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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