Molecule

ID:63571

General Information
Structure
MolImage
Molecular Formula
C₅H₉ClN₄
Molecular Mass
160.60476
Exact Mass
160.05157399
Charge
0
InChI
InChI=1S/C5H8N4.ClH/c1-9-3-2-8-5(9)4(6)7;/h2-3H,1H3,(H3,6,7);1H
InChIKey
WJQAKFRHCZWOKB-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1nccn1C.Cl
Isomeric Smiles
C(=N)(N)c1nccn1C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.0267813
LogD (pH = 7.4)
-2.5372224
Log P
-0.6235348
Molar Refractivity
45.0592
Polarizability
12.61908
Polar Surface Area
67.69
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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