Molecule

ID:62165

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀Cl₂N₄O
Molecular Mass
295.2087
Exact Mass
294.10141664
Charge
0
InChI
InChI=1S/C11H18N4O.2ClH/c12-5-6-15-8-10(7-13-15)14-11(16)9-3-1-2-4-9;;/h7-9H,1-6,12H2,(H,14,16);2*1H
InChIKey
QUIFAZUWXYVMJC-UHFFFAOYSA-N
Canonic Smiles
NCCn1ncc(c1)NC(=O)C1CCCC1.Cl.Cl
Isomeric Smiles
c1(cn(nc1)CCN)NC(=O)C1CCCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
11.749057
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.489371
LogD (pH = 7.4)
-1.6629654
Log P
0.51076597
Molar Refractivity
74.3754
Polarizability
23.792356
Polar Surface Area
72.94
Rotatable Bonds
4
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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