Molecule

ID:15603

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₂
Molecular Mass
209.62902
Exact Mass
209.02435618
Charge
0
InChI
InChI=1S/C10H8ClNO2/c1-12-8-3-2-7(11)4-6(8)5-9(12)10(13)14/h2-5H,1H3,(H,13,14)
InChIKey
UTJVSPKRDDKHND-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)cc(n2C)C(=O)O
Isomeric Smiles
c1c(cc2c(c1)n(c(c2)C(=O)O)C)Cl
Calculated Properties
JChem
Acid pKa
3.3871267
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.37743363
LogD (pH = 7.4)
-0.928821
Log P
2.4773126
Molar Refractivity
53.9797
Polarizability
21.493664
Polar Surface Area
42.23
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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