Molecule

ID:70613

General Information
Structure
MolImage
Molecular Formula
C₂H₈ClN₃
Molecular Mass
109.55802
Exact Mass
109.04067495
Charge
0
InChI
InChI=1S/C2H7N3.ClH/c1-5-2(3)4;/h1H3,(H4,3,4,5);1H
InChIKey
VJQCNCOGZPSOQZ-UHFFFAOYSA-N
Canonic Smiles
CNC(=N)N.Cl
Isomeric Smiles
N(C(=N)N)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-3.3746824
LogD (pH = 7.4)
-3.3742156
Log P
-0.9592296
Molar Refractivity
30.6334
Polarizability
7.4338884
Polar Surface Area
61.9
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
References
Bioactivity
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