Molecule

ID:98310

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClFO₃
Molecular Mass
244.6467032
Exact Mass
244.03025008
Charge
0
InChI
InChI=1S/C11H10ClFO3/c12-8-5-4-7(6-9(8)13)10(14)2-1-3-11(15)16/h4-6H,1-3H2,(H,15,16)
InChIKey
GWPVAONYRKBXDR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCC(=O)c1ccc(c(c1)F)Cl
Isomeric Smiles
Clc1c(cc(cc1)C(=O)CCCC(=O)O)F
Calculated Properties
JChem
Acid pKa
3.5311682
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5853811
LogD (pH = 7.4)
-0.8187696
Log P
2.5470715
Molar Refractivity
56.9763
Polarizability
21.824492
Polar Surface Area
54.37
Rotatable Bonds
5
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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