Molecule

ID:60183

General Information
Structure
MolImage
Molecular Formula
C₃H₂Cl₂N₂
Molecular Mass
136.96738
Exact Mass
135.95950343
Charge
0
InChI
InChI=1S/C3H2Cl2N2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)
InChIKey
QAJJXHRQPLATMK-UHFFFAOYSA-N
Canonic Smiles
Clc1[nH]cnc1Cl
Isomeric Smiles
[nH]1cnc(c1Cl)Cl
Calculated Properties
JChem
Acid pKa
9.571211
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.99562407
LogD (pH = 7.4)
0.9954027
Log P
0.99805295
Molar Refractivity
29.6848
Polarizability
11.171314
Polar Surface Area
28.68
Rotatable Bonds
0
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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