Molecule

ID:61355

General Information
Structure
Molecular Formula
C₁₆H₁₁FO₃
Molecular Mass
270.2551432
Exact Mass
270.06922243
Charge
0
InChI
InChI=1S/C16H11FO3/c1-9-13(18)7-6-12-15(19)14(20-16(9)12)8-10-2-4-11(17)5-3-10/h2-8,18H,1H3/b14-8-
InChIKey
PYVVWPPCHFSRLB-ZSOIEALJSA-N
Canonic Smiles
Fc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2C)O
Isomeric Smiles
c12O/C(=C\c3ccc(F)cc3)/C(=O)c1ccc(c2C)O
Calculated Properties
JChem
Acid pKa
8.095016
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5537374
LogD (pH = 7.4)
3.475568
Log P
3.5548322
Molar Refractivity
74.2848
Polarizability
27.310148
Polar Surface Area
46.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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