Molecule

ID:30963

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₂
Molecular Mass
209.62902
Exact Mass
209.02435618
Charge
0
InChI
InChI=1S/C10H8ClNO2/c1-5-6-3-2-4-7(11)9(6)12-8(5)10(13)14/h2-4,12H,1H3,(H,13,14)
InChIKey
UJVTZVNZWSRCNL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1[nH]c2c(c1C)cccc2Cl
Isomeric Smiles
c1([nH]c2c(c1C)cccc2Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.453252
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.73048866
LogD (pH = 7.4)
-0.62176794
Log P
2.767058
Molar Refractivity
54.1242
Polarizability
21.516542
Polar Surface Area
53.09
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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