Molecule

ID:45804

General Information
Structure
Molecular Formula
C₁₀H₂₁ClN₂O
Molecular Mass
220.73954
Exact Mass
220.13424098
Charge
0
InChI
InChI=1S/C10H20N2O.ClH/c1-8(2)7-10(13)12-9-3-5-11-6-4-9;/h8-9,11H,3-7H2,1-2H3,(H,12,13);1H
InChIKey
RSMYCMLGEXJRJZ-UHFFFAOYSA-N
Canonic Smiles
CC(CC(=O)NC1CCNCC1)C.Cl
Isomeric Smiles
C(=O)(NC1CCNCC1)CC(C)C.Cl
Calculated Properties
JChem
Acid pKa
16.239893
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.9509368
LogD (pH = 7.4)
-2.2666283
Log P
0.26926953
Molar Refractivity
53.2955
Polarizability
21.152966
Polar Surface Area
41.13
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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