Molecule

ID:47841

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃FN₂O
Molecular Mass
196.2214232
Exact Mass
196.10119127
Charge
0
InChI
InChI=1S/C10H13FN2O/c11-9-5-7(12)1-2-10(9)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6,12H2
InChIKey
JKEKFPNIJKEMSY-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(C1)c1ccc(cc1F)N
Isomeric Smiles
N1(c2c(cc(cc2)N)F)CC(CC1)O
Calculated Properties
JChem
Acid pKa
14.832489
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.5716461
LogD (pH = 7.4)
0.6520367
Log P
0.6531655
Molar Refractivity
54.2623
Polarizability
19.558084
Polar Surface Area
49.49
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
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Molecule Details
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References
Bioactivity
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