Molecule

ID:28388

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClN₃
Molecular Mass
147.606
Exact Mass
147.05632502
Charge
0
InChI
InChI=1S/C5H9N3.ClH/c1-4-5(6)3-8(2)7-4;/h3H,6H2,1-2H3;1H
InChIKey
ZDOGXPGAEYKUJK-UHFFFAOYSA-N
Canonic Smiles
Cn1cc(c(n1)C)N.Cl
Isomeric Smiles
n1c(c(cn1C)N)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.29691106
LogD (pH = 7.4)
-0.2964557
Log P
-0.2964499
Molar Refractivity
44.2533
Polarizability
11.799934
Polar Surface Area
43.84
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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