Molecule

ID:135527

General Information
Structure
MolImage
Molecular Formula
C₄H₂Cl₂N₂
Molecular Mass
152.95020747
Exact Mass
151.9602829
Charge
0
InChI
InChI=1S/C4H2Cl2N2/c5-3-1-2-4(6)8-7-3/h1-2H/i3+1,4+1,7+1,8+1
InChIKey
GUSWJGOYDXFJSI-HZENGFQRSA-N
Canonic Smiles
Cl[13c]1cc[13c]([15n][15n]1)Cl
Isomeric Smiles
c1c[13c]([15n][15n][13c]1Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4242471
LogD (pH = 7.4)
1.4242471
Log P
1.4242471
Molar Refractivity
35.4966
Polarizability
12.56423
Polar Surface Area
25.78
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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