Molecule

ID:103976

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClNO₃
Molecular Mass
223.61254
Exact Mass
223.00362074
Charge
0
InChI
InChI=1S/C10H6ClNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-4H,(H,12,13)(H,14,15)
InChIKey
UAWVRVFHMOSAPU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)nc(cc2O)C(=O)O
Isomeric Smiles
OC(=O)c1cc(O)c2ccc(Cl)cc2n1
Calculated Properties
JChem
Acid pKa
0.8427522
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.5714445
LogD (pH = 7.4)
-0.86731285
Log P
2.474813
Molar Refractivity
53.6492
Polarizability
21.778782
Polar Surface Area
70.42
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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