Molecule

ID:36715

General Information
Structure
Molecular Formula
C₁₀H₅FO₃
Molecular Mass
192.1433032
Exact Mass
192.02227224
Charge
0
InChI
InChI=1S/C10H5FO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H
InChIKey
VHRMOTNEBIKURN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1coc2c(c1=O)cc(cc2)F
Isomeric Smiles
c1(ccc2c(c1)c(=O)c(co2)C=O)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2408093
LogD (pH = 7.4)
1.2408093
Log P
1.2408093
Molar Refractivity
46.6534
Polarizability
17.286133
Polar Surface Area
43.37
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
No Data Available
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Molecule Details
References
Bioactivity
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