Molecule

ID:93035

General Information
Structure
Molecular Formula
C₁₁H₇ClFNO₃
Molecular Mass
255.6295832
Exact Mass
255.00984899
Charge
0
InChI
InChI=1S/C11H7ClFNO3/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H,15,16)
InChIKey
REIPZLFZMOQHJT-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1c1noc(c1C(=O)O)C)Cl
Isomeric Smiles
n1c(c2c(cccc2Cl)F)c(c(o1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9176586
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3860716
LogD (pH = 7.4)
-0.22962452
Log P
2.9747577
Molar Refractivity
59.6913
Polarizability
23.045073
Polar Surface Area
63.33
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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