Molecule

ID:68031

General Information
Structure
MolImage
Molecular Formula
C₅H₆Cl₂N₂
Molecular Mass
165.02054
Exact Mass
163.99080356
Charge
0
InChI
InChI=1S/C5H5ClN2.ClH/c6-4-5-7-2-1-3-8-5;/h1-3H,4H2;1H
InChIKey
XLGVMJXAZRCTRU-UHFFFAOYSA-N
Canonic Smiles
ClCc1ncccn1.Cl
Isomeric Smiles
c1(ncccn1)CCl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1318979
LogD (pH = 7.4)
1.1319033
Log P
1.1319033
Molar Refractivity
32.0999
Polarizability
12.230502
Polar Surface Area
25.78
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
No Data Available
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Molecule Details
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References
Bioactivity
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