Molecule

ID:50594

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁FN₂O₂
Molecular Mass
210.2049432
Exact Mass
210.08045582
Charge
0
InChI
InChI=1S/C10H11FN2O2/c11-9-7(10(14)15)3-4-8(12-9)13-5-1-2-6-13/h3-4H,1-2,5-6H2,(H,14,15)
InChIKey
SLLMHRMILPEKNY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(nc1F)N1CCCC1
Isomeric Smiles
c1(c(nc(cc1)N1CCCC1)F)C(=O)O
Calculated Properties
JChem
Acid pKa
4.6111236
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.117444
LogD (pH = 7.4)
-0.65898275
Log P
2.0580878
Molar Refractivity
54.6715
Polarizability
19.318998
Polar Surface Area
53.43
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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