Molecule

ID:100976

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClN₃
Molecular Mass
147.606
Exact Mass
147.05632502
Charge
0
InChI
InChI=1S/C5H9N3.ClH/c1-4-3-5(6)8(2)7-4;/h3H,6H2,1-2H3;1H
InChIKey
MOGGYYLZLBLICG-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1)N)C.Cl
Isomeric Smiles
c1(n(nc(c1)C)C)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.2371466
LogD (pH = 7.4)
-0.20754959
Log P
-0.20715891
Molar Refractivity
43.5066
Polarizability
11.79755
Polar Surface Area
43.84
Rotatable Bonds
0
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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