Molecule

ID:100651

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈FNO₂
Molecular Mass
193.1744232
Exact Mass
193.05390672
Charge
0
InChI
InChI=1S/C10H8FNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)
InChIKey
GWLLOJBOPVNWNF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1c[nH]c2c1cc(F)cc2
Isomeric Smiles
[nH]1c2ccc(cc2c(c1)CC(=O)O)F
Calculated Properties
JChem
Acid pKa
4.125792
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.46330664
LogD (pH = 7.4)
-1.2300906
Log P
1.852458
Molar Refractivity
48.6685
Polarizability
19.38687
Polar Surface Area
53.09
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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