Molecule

ID:67035

General Information
Structure
MolImage
Molecular Formula
C₄H₅ClN₄
Molecular Mass
144.5623
Exact Mass
144.02027386
Charge
0
InChI
InChI=1S/C4H5ClN4/c5-3-4(9-6)8-2-1-7-3/h1-2H,6H2,(H,8,9)
InChIKey
PUUGNIKJWZNTBK-UHFFFAOYSA-N
Canonic Smiles
NNc1nccnc1Cl
Isomeric Smiles
c1(c(nccn1)NN)Cl
Calculated Properties
JChem
Acid pKa
16.235434
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.34472138
LogD (pH = 7.4)
0.3481787
Log P
0.34822294
Molar Refractivity
37.6305
Polarizability
13.130086
Polar Surface Area
63.83
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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