Molecule

ID:15010

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₂N₂O
Molecular Mass
241.07344
Exact Mass
239.98571818
Charge
0
InChI
InChI=1S/C10H6Cl2N2O/c11-7-3-1-6(2-4-7)10-8(12)5-9(15)13-14-10/h1-5H,(H,13,15)
InChIKey
CVLPGZYFWNLWSO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1n[nH]c(=O)cc1Cl
Isomeric Smiles
c1(=O)cc(c(n[nH]1)c1ccc(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
9.2333765
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.624642
LogD (pH = 7.4)
2.6191115
Log P
2.624713
Molar Refractivity
60.2995
Polarizability
22.421146
Polar Surface Area
41.46
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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