Molecule

ID:61329

General Information
Structure
Molecular Formula
C₁₅H₈ClFO₃
Molecular Mass
290.6736232
Exact Mass
290.01460002
Charge
0
InChI
InChI=1S/C15H8ClFO3/c16-11-2-1-3-12(17)10(11)7-14-15(19)9-5-4-8(18)6-13(9)20-14/h1-7,18H/b14-7-
InChIKey
CYXLDICAQDGQHC-AUWJEWJLSA-N
Canonic Smiles
Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)/C2=O
Isomeric Smiles
C\1(=C\c2c(Cl)cccc2F)/C(=O)c2c(O1)cc(cc2)O
Calculated Properties
JChem
Acid pKa
7.6516805
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.6424253
LogD (pH = 7.4)
3.454006
Log P
3.6454556
Molar Refractivity
74.0484
Polarizability
27.478748
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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