Molecule

ID:51614

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃FN₂O
Molecular Mass
196.2214232
Exact Mass
196.10119127
Charge
0
InChI
InChI=1S/C10H13FN2O/c11-9-2-1-3-10(12-9)13-5-4-8(6-13)7-14/h1-3,8,14H,4-7H2
InChIKey
CIKOLVHCNTXPCL-UHFFFAOYSA-N
Canonic Smiles
OCC1CCN(C1)c1cccc(n1)F
Isomeric Smiles
c1c(nc(cc1)N1CCC(C1)CO)F
Calculated Properties
JChem
Acid pKa
15.428478
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3703517
LogD (pH = 7.4)
1.3703557
Log P
1.3703558
Molar Refractivity
53.7168
Polarizability
19.37028
Polar Surface Area
36.36
Rotatable Bonds
2
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
References
Bioactivity
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