Molecule

ID:81082

General Information
Structure
Molecular Formula
C₃Cl₂N₂
Molecular Mass
134.9515
Exact Mass
133.94385337
Charge
0
InChI
InChI=1S/C3Cl2N2/c4-3(5,1-6)2-7
InChIKey
NCWGPYPDPWOJKC-UHFFFAOYSA-N
Canonic Smiles
N#CC(C#N)(Cl)Cl
Isomeric Smiles
N#CC(C#N)(Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4196433
LogD (pH = 7.4)
1.4196433
Log P
1.4196433
Molar Refractivity
26.9022
Polarizability
9.90063
Polar Surface Area
47.58
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
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Molecule Details
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References
Bioactivity
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