Molecule

ID:62938

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆Cl₂N₄O₂
Molecular Mass
271.14424
Exact Mass
270.06503113
Charge
0
InChI
InChI=1S/C8H14N4O2.2ClH/c1-14-6-8(13)11-7-2-4-10-12(7)5-3-9;;/h2,4H,3,5-6,9H2,1H3,(H,11,13);2*1H
InChIKey
HWRBMVRRMASMFE-UHFFFAOYSA-N
Canonic Smiles
COCC(=O)Nc1ccnn1CCN.Cl.Cl
Isomeric Smiles
c1(n(ncc1)CCN)NC(=O)COC.Cl.Cl
Calculated Properties
JChem
Acid pKa
12.892283
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.2123995
LogD (pH = 7.4)
-3.1483207
Log P
-1.2429981
Molar Refractivity
63.4809
Polarizability
19.735258
Polar Surface Area
82.17
Rotatable Bonds
5
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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