Molecule

ID:55231

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁ClN₂O
Molecular Mass
220.73954
Exact Mass
220.13424098
Charge
0
InChI
InChI=1S/C10H20N2O.ClH/c1-2-3-4-10(13)12-7-5-9(11)6-8-12;/h9H,2-8,11H2,1H3;1H
InChIKey
PJUMPIMQDFSTKP-UHFFFAOYSA-N
Canonic Smiles
CCCCC(=O)N1CCC(CC1)N.Cl
Isomeric Smiles
N1(C(=O)CCCC)CCC(CC1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.799915
LogD (pH = 7.4)
-2.2309785
Log P
0.21791478
Molar Refractivity
53.47
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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