Molecule

ID:24089

General Information
Structure
MolImage
Molecular Formula
C₅H₆ClN₅
Molecular Mass
171.58764
Exact Mass
171.0311729
Charge
0
InChI
InChI=1S/C5H5N5.ClH/c6-4-8-5-7-2-1-3-10(5)9-4;/h1-3H,(H2,6,9);1H
InChIKey
ALVPUBAVWSUZLD-UHFFFAOYSA-N
Canonic Smiles
Nc1nn2c(n1)nccc2.Cl
Isomeric Smiles
n1c2n(nc1N)cccn2.Cl
Calculated Properties
JChem
Acid pKa
14.853865
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.062384646
LogD (pH = 7.4)
0.06241229
Log P
0.06241266
Molar Refractivity
48.2513
Polarizability
12.703921
Polar Surface Area
69.1
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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