Molecule

ID:55839

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀Cl₂N₄O
Molecular Mass
283.198
Exact Mass
282.10141664
Charge
0
InChI
InChI=1S/C10H18N4O.2ClH/c1-15-6-4-9-12-10(14-13-9)8-3-2-5-11-7-8;;/h8,11H,2-7H2,1H3,(H,12,13,14);2*1H
InChIKey
HPBFQIQZNKPUCY-UHFFFAOYSA-N
Canonic Smiles
COCCc1nnc([nH]1)C1CCCNC1.Cl.Cl
Isomeric Smiles
C1CNCC(C1)c1[nH]c(nn1)CCOC.Cl.Cl
Calculated Properties
JChem
Acid pKa
10.942655
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.7261016
LogD (pH = 7.4)
-2.720304
Log P
-0.74872404
Molar Refractivity
59.5408
Polarizability
22.34195
Polar Surface Area
62.83
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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