Molecule

ID:48776

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁ClN₂O
Molecular Mass
220.73954
Exact Mass
220.13424098
Charge
0
InChI
InChI=1S/C10H20N2O.ClH/c1-3-9-6-4-5-7-12(9)10(13)8-11-2;/h9,11H,3-8H2,1-2H3;1H
InChIKey
MAFUIBKEOFYLEF-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)N1CCCCC1CC.Cl
Isomeric Smiles
N1(C(=O)CNC)C(CC)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2607262
LogD (pH = 7.4)
-0.7090477
Log P
0.7149779
Molar Refractivity
53.4784
Polarizability
21.152966
Polar Surface Area
32.34
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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