Molecule

ID:62698

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅Cl₂N₃O
Molecular Mass
216.1088
Exact Mass
215.05921748
Charge
0
InChI
InChI=1S/C6H13N3O.2ClH/c1-9-3-2-8-5(4-9)6(7)10;;/h5,8H,2-4H2,1H3,(H2,7,10);2*1H
InChIKey
GGMLBQNPYBQXIQ-UHFFFAOYSA-N
Canonic Smiles
CN1CCNC(C1)C(=O)N.Cl.Cl
Isomeric Smiles
C1(C(=O)N)NCCN(C1)C.Cl.Cl
Calculated Properties
JChem
Acid pKa
16.354206
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.5069494
LogD (pH = 7.4)
-2.8265495
Log P
-1.4627619
Molar Refractivity
38.3956
Polarizability
15.323374
Polar Surface Area
58.36
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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