Molecule

ID:65006

General Information
Structure
Molecular Formula
C₆H₁₀ClN₃
Molecular Mass
159.6167
Exact Mass
159.05632502
Charge
0
InChI
InChI=1S/C6H9N3.ClH/c1-9-6-4-7-2-5(6)3-8-9;/h3,7H,2,4H2,1H3;1H
InChIKey
YVTGXCGMXNMPOV-UHFFFAOYSA-N
Canonic Smiles
Cn1ncc2c1CNC2.Cl
Isomeric Smiles
C1NCc2c1n(nc2)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.888274
LogD (pH = 7.4)
-1.154338
Log P
-0.36931688
Molar Refractivity
46.6415
Polarizability
13.369277
Polar Surface Area
29.85
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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