Molecule

ID:129217

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₂NO₂
Molecular Mass
242.0582
Exact Mass
240.96973377
Charge
0
InChI
InChI=1S/C10H5Cl2NO2/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6/h1-4H,(H,14,15)
InChIKey
FFSSWMQPCJRCRV-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc2c(c1)ccc(c2C(=O)O)Cl
Isomeric Smiles
O=C(O)c1c(Cl)ccc2cc(Cl)cnc12
Calculated Properties
JChem
Acid pKa
-0.24713382
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.24093239
LogD (pH = 7.4)
-0.5276811
Log P
2.5552979
Molar Refractivity
56.8451
Polarizability
23.08071
Polar Surface Area
50.19
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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