Molecule

ID:65788

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClN₄
Molecular Mass
154.55712
Exact Mass
154.0046238
Charge
0
InChI
InChI=1S/C5H3ClN4/c6-4-2-9-5(8)3(1-7)10-4/h2H,(H2,8,9)
InChIKey
OKSPUZDERJZNPO-UHFFFAOYSA-N
Canonic Smiles
N#Cc1nc(Cl)cnc1N
Isomeric Smiles
c1c(nc(c(n1)N)C#N)Cl
Calculated Properties
JChem
Acid pKa
17.314634
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.3696009
LogD (pH = 7.4)
0.3696009
Log P
0.3696009
Molar Refractivity
37.9738
Polarizability
13.55975
Polar Surface Area
75.59
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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