Molecule

ID:60598

General Information
Structure
MolImage
Molecular Formula
C₄H₅ClN₄
Molecular Mass
144.5623
Exact Mass
144.02027386
Charge
0
InChI
InChI=1S/C4H5ClN4/c5-4-7-2-1-3(8-4)9-6/h1-2H,6H2,(H,7,8,9)
InChIKey
NOTCVZXATRYXPI-UHFFFAOYSA-N
Canonic Smiles
NNc1ccnc(n1)Cl
Isomeric Smiles
c1nc(nc(c1)NN)Cl
Calculated Properties
JChem
Acid pKa
19.122808
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.9398718
LogD (pH = 7.4)
0.94432884
Log P
0.94438595
Molar Refractivity
38.2411
Polarizability
13.1712
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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