Molecule

ID:38259

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀Cl₂N₄O₂
Molecular Mass
311.2081
Exact Mass
310.09633126
Charge
0
InChI
InChI=1S/C11H18N4O2.2ClH/c1-3-15-7-9(8(2)14-15)13-11(16)10-6-12-4-5-17-10;;/h7,10,12H,3-6H2,1-2H3,(H,13,16);2*1H
InChIKey
LFVKKGRSHUKUNL-UHFFFAOYSA-N
Canonic Smiles
CCn1cc(c(n1)C)NC(=O)C1OCCNC1.Cl.Cl
Isomeric Smiles
c1(c(nn(c1)CC)C)NC(=O)C1OCCNC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
10.930595
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.5644834
LogD (pH = 7.4)
-0.8680504
Log P
-0.37109923
Molar Refractivity
76.1186
Polarizability
24.434193
Polar Surface Area
68.18
Rotatable Bonds
3
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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