Molecule

ID:69092

General Information
Structure
Molecular Formula
C₅H₁₁Cl₂N₃
Molecular Mass
184.06694
Exact Mass
183.03300273
Charge
0
InChI
InChI=1S/C5H9N3.2ClH/c6-3-5-4-7-1-2-8-5;;/h5,7-8H,1-2,4H2;2*1H
InChIKey
BYUCWQZNBFCREC-UHFFFAOYSA-N
Canonic Smiles
N#CC1NCCNC1.Cl.Cl
Isomeric Smiles
N1C(CNCC1)C#N.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.2424755
LogD (pH = 7.4)
-1.0670854
Log P
-0.98091835
Molar Refractivity
30.258
Polarizability
12.106838
Polar Surface Area
47.85
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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