Molecule

ID:48192

General Information
Structure
Molecular Formula
C₁₀H₂₁Cl₂N₃O
Molecular Mass
270.19924
Exact Mass
269.10616767
Charge
0
InChI
InChI=1S/C10H19N3O.2ClH/c14-10-8-13(6-5-12-10)7-9-3-1-2-4-11-9;;/h9,11H,1-8H2,(H,12,14);2*1H
InChIKey
NPECEHHGSKLLDJ-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCN(C1)CC1CCCCN1.Cl.Cl
Isomeric Smiles
N1(CC(=O)NCC1)CC1NCCCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
14.653153
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.7674923
LogD (pH = 7.4)
-2.789147
Log P
-0.54090893
Molar Refractivity
55.3592
Polarizability
21.952879
Polar Surface Area
44.37
Rotatable Bonds
2
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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