Molecule

ID:88331

General Information
Structure
MolImage
Molecular Formula
C₄H₇ClN₄
Molecular Mass
146.57818
Exact Mass
146.03592392
Charge
0
InChI
InChI=1S/C4H6N4.ClH/c5-7-4-2-1-3-6-8-4;/h1-3H,5H2,(H,7,8);1H
InChIKey
JSNMMGFCLNVBEX-UHFFFAOYSA-N
Canonic Smiles
NNc1cccnn1.Cl
Isomeric Smiles
n1nc(ccc1)NN.Cl
Calculated Properties
JChem
Acid pKa
17.942818
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.75463223
LogD (pH = 7.4)
-0.25059995
Log P
-0.23809642
Molar Refractivity
33.7846
Polarizability
11.120494
Polar Surface Area
63.83
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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