Molecule

ID:60808

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClFN₂O₂
Molecular Mass
242.6341232
Exact Mass
242.02583341
Charge
0
InChI
InChI=1S/C10H8ClFN2O2/c11-3-4-14-9(15)7-5-6(12)1-2-8(7)13-10(14)16/h1-2,5H,3-4H2,(H,13,16)
InChIKey
UXVQMHKKDMCOEV-UHFFFAOYSA-N
Canonic Smiles
ClCCn1c(=O)[nH]c2c(c1=O)cc(cc2)F
Isomeric Smiles
n1(c(=O)c2c([nH]c1=O)ccc(c2)F)CCCl
Calculated Properties
JChem
Acid pKa
11.522773
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.427815
LogD (pH = 7.4)
2.4277842
Log P
2.4278154
Molar Refractivity
58.2325
Polarizability
20.857954
Polar Surface Area
49.41
Rotatable Bonds
2
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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