Molecule

ID:51564

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁FN₂O₂
Molecular Mass
210.2049432
Exact Mass
210.08045582
Charge
0
InChI
InChI=1S/C10H11FN2O2/c11-8-5-7(10(14)15)6-9(12-8)13-3-1-2-4-13/h5-6H,1-4H2,(H,14,15)
InChIKey
VWAYZTJRTOUOEB-UHFFFAOYSA-N
Canonic Smiles
Fc1nc(cc(c1)C(=O)O)N1CCCC1
Isomeric Smiles
c1c(nc(cc1C(=O)O)N1CCCC1)F
Calculated Properties
JChem
Acid pKa
4.302811
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.83617413
LogD (pH = 7.4)
-0.9028581
Log P
2.0580878
Molar Refractivity
54.6715
Polarizability
19.318834
Polar Surface Area
53.43
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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