Molecule

ID:48804

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁ClN₂O
Molecular Mass
220.73954
Exact Mass
220.13424098
Charge
0
InChI
InChI=1S/C10H20N2O.ClH/c1-2-9-5-3-4-8-12(9)10(13)6-7-11;/h9H,2-8,11H2,1H3;1H
InChIKey
CMPSLLMUYGUEOA-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)N1CCCCC1CC.Cl
Isomeric Smiles
N1(C(=O)CCN)C(CC)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4146404
LogD (pH = 7.4)
-1.191899
Log P
0.51941025
Molar Refractivity
53.4032
Polarizability
21.152966
Polar Surface Area
46.33
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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