Molecule

ID:62876

General Information
Structure
Molecular Formula
C₁₁H₂₁Cl₂N₃O
Molecular Mass
282.20994
Exact Mass
281.10616767
Charge
0
InChI
InChI=1S/C11H19N3O.2ClH/c1-14-9(5-7-15)8-11(13-14)10-4-2-3-6-12-10;;/h8,10,12,15H,2-7H2,1H3;2*1H
InChIKey
NHYKNVFVCDOICJ-UHFFFAOYSA-N
Canonic Smiles
OCCc1cc(nn1C)C1CCCCN1.Cl.Cl
Isomeric Smiles
n1c(cc(n1C)CCO)C1NCCCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.85347
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.4017549
LogD (pH = 7.4)
-0.6969564
Log P
0.31586012
Molar Refractivity
71.1333
Polarizability
23.121677
Polar Surface Area
50.08
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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