Molecule

ID:61356

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁FO₃
Molecular Mass
270.2551432
Exact Mass
270.06922243
Charge
0
InChI
InChI=1S/C16H11FO3/c1-9-13(18)7-6-11-15(19)14(20-16(9)11)8-10-4-2-3-5-12(10)17/h2-8,18H,1H3/b14-8-
InChIKey
QLSCUJFIOCWBDA-ZSOIEALJSA-N
Canonic Smiles
O=C1/C(=C/c2ccccc2F)/Oc2c1ccc(c2C)O
Isomeric Smiles
c12O/C(=C\c3c(F)cccc3)/C(=O)c1ccc(c2C)O
Calculated Properties
JChem
Acid pKa
8.094525
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5537362
LogD (pH = 7.4)
3.4754863
Log P
3.5548322
Molar Refractivity
74.2848
Polarizability
27.312447
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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