Molecule

ID:57359

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClFNO₃
Molecular Mass
245.6347632
Exact Mass
245.02549905
Charge
0
InChI
InChI=1S/C10H9ClFNO3/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(15)16/h1-2,5H,3-4H2,(H,13,14)(H,15,16)
InChIKey
IAXPBKWZXXEWQX-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1F)Cl)CCC(=O)O
Isomeric Smiles
c1cc(cc(c1NC(=O)CCC(=O)O)F)Cl
Calculated Properties
JChem
Acid pKa
3.574038
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.13782775
LogD (pH = 7.4)
-1.5693694
Log P
1.7825656
Molar Refractivity
56.8355
Polarizability
21.16491
Polar Surface Area
66.4
Rotatable Bonds
4
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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