Molecule

ID:24722

General Information
Structure
Molecular Formula
C₆H₁₀ClN₃
Molecular Mass
159.6167
Exact Mass
159.05632502
Charge
0
InChI
InChI=1S/C6H9N3.ClH/c7-2-1-6-5-8-3-4-9-6;/h3-5H,1-2,7H2;1H
InChIKey
BRCZMQXTZBZJBJ-UHFFFAOYSA-N
Canonic Smiles
NCCc1cnccn1.Cl
Isomeric Smiles
n1c(CCN)cncc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.007462
LogD (pH = 7.4)
-3.0822475
Log P
-1.017846
Molar Refractivity
34.3948
Polarizability
13.664622
Polar Surface Area
51.8
Rotatable Bonds
2
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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