Molecule

ID:34686

General Information
Structure
MolImage
Molecular Formula
C₆H₈Cl₂N₂
Molecular Mass
179.04712
Exact Mass
178.00645363
Charge
0
InChI
InChI=1S/C6H7ClN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1H
InChIKey
ADODRSVGNHNKAT-UHFFFAOYSA-N
Canonic Smiles
NNc1ccccc1Cl.Cl
Isomeric Smiles
c1(c(Cl)cccc1)NN.Cl
Calculated Properties
JChem
Acid pKa
18.326193
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8299513
LogD (pH = 7.4)
1.9668754
Log P
1.9689331
Molar Refractivity
40.5695
Polarizability
14.761311
Polar Surface Area
38.05
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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