Molecule

ID:63227

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClN₄
Molecular Mass
154.55712
Exact Mass
154.0046238
Charge
0
InChI
InChI=1S/C5H3ClN4/c6-5-7-1-3-2-8-10-4(3)9-5/h1-2H,(H,7,8,9,10)
InChIKey
CZAPPYRAFCOFOL-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2[nH]ncc2cn1
Isomeric Smiles
n1c(Cl)ncc2cn[nH]c12
Calculated Properties
JChem
Acid pKa
9.663179
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.64094895
LogD (pH = 7.4)
0.6462344
Log P
0.64880973
Molar Refractivity
38.1886
Polarizability
14.247699
Polar Surface Area
54.46
Rotatable Bonds
0
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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