Molecule

ID:134018

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉ClN₄O₂
Molecular Mass
238.71506
Exact Mass
238.11965355
Charge
0
InChI
InChI=1S/C8H18N4O2.ClH/c1-2-14-7(13)6(9)4-3-5-12-8(10)11;/h6H,2-5,9H2,1H3,(H4,10,11,12);1H
InChIKey
DUCUWLZKZPQJDY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(CCCNC(=N)N)N.Cl
Isomeric Smiles
CCOC(=O)C(CCCNC(=N)N)N.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-4.9133887
LogD (pH = 7.4)
-3.5487118
Log P
-0.9862494
Molar Refractivity
63.4408
Polarizability
20.797354
Polar Surface Area
114.22
Rotatable Bonds
7
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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