Molecule

ID:64588

General Information
Structure
MolImage
Molecular Formula
C₅H₉ClN₄
Molecular Mass
160.60476
Exact Mass
160.05157399
Charge
0
InChI
InChI=1S/C5H8N4.ClH/c1-2-9-4-7-8-5(9)3-6-1;/h4,6H,1-3H2;1H
InChIKey
NKEHUOIDQUKFDV-UHFFFAOYSA-N
Canonic Smiles
N1CCn2c(C1)nnc2.Cl
Isomeric Smiles
n12c(nnc1)CNCC2.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.664972
LogD (pH = 7.4)
-1.5046616
Log P
-1.4220095
Molar Refractivity
34.7317
Polarizability
12.5235615
Polar Surface Area
42.74
Rotatable Bonds
0
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
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References
Bioactivity
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