Molecule
ID:34575
General Information
Molecular Formula
C₁₀H₅FO₃
Molecular Mass
192.1433032
Exact Mass
192.02227224
Charge
0
InChI
InChI=1S/C10H5FO3/c11-7-3-1-6(2-4-7)8-5-9(12)14-10(8)13/h1-5H
InChIKey
NNKSECDWBIVLNL-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)C=C1c1ccc(cc1)F
Isomeric Smiles
O1C(=O)C(=CC1=O)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3707142
LogD (pH = 7.4)
2.3707142
Log P
2.3707142
Molar Refractivity
46.0701
Polarizability
17.380531
Polar Surface Area
43.37
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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