Molecule

ID:68376

General Information
Structure
MolImage
Molecular Formula
C₅H₆ClN₃
Molecular Mass
143.57424
Exact Mass
143.02502489
Charge
0
InChI
InChI=1S/C5H6ClN3/c1-7-5-8-3-2-4(6)9-5/h2-3H,1H3,(H,7,8,9)
InChIKey
UKLSJMPZHKFSQJ-UHFFFAOYSA-N
Canonic Smiles
CNc1nc(Cl)ccn1
Isomeric Smiles
c1(nc(ccn1)Cl)NC
Calculated Properties
JChem
Acid pKa
16.15907
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0230155
LogD (pH = 7.4)
1.0254898
Log P
1.0255215
Molar Refractivity
38.7282
Polarizability
13.50538
Polar Surface Area
37.81
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
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Molecule Details
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References
Bioactivity
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