Molecule

ID:64781

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClNO₃
Molecular Mass
223.61254
Exact Mass
223.00362074
Charge
0
InChI
InChI=1S/C10H6ClNO3/c11-9-8(13)7(10(14)15)5-3-1-2-4-6(5)12-9/h1-4,13H,(H,14,15)
InChIKey
RPGQCGYSROBDNQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(O)c(Cl)nc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)nc(c(c2C(=O)O)O)Cl
Calculated Properties
JChem
Acid pKa
3.2893753
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.7661534
LogD (pH = 7.4)
-0.47184142
Log P
2.9591398
Molar Refractivity
55.0825
Polarizability
21.855328
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
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Molecule Details
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References
Bioactivity
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