Molecule

ID:80856

General Information
Structure
MolImage
Molecular Formula
C₅H₉ClN₄S
Molecular Mass
192.66976
Exact Mass
192.02364499
Charge
0
InChI
InChI=1S/C5H8N4S.ClH/c1-3-2-10-5(8-3)9-4(6)7;/h2H,1H3,(H4,6,7,8,9);1H
InChIKey
AYUMBOOFVFTIOJ-UHFFFAOYSA-N
Canonic Smiles
Cc1csc(n1)NC(=N)N.Cl
Isomeric Smiles
n1c(NC(=N)N)scc1C.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.8637798
LogD (pH = 7.4)
-0.57755655
Log P
0.42165178
Molar Refractivity
51.465
Polarizability
14.767876
Polar Surface Area
74.79
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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