Molecule

ID:55835

General Information
Structure
Molecular Formula
C₁₀H₂₀ClNO₂
Molecular Mass
221.7243
Exact Mass
221.11825657
Charge
0
InChI
InChI=1S/C10H19NO2.ClH/c1-3-6-10(9(12)13-2)7-4-5-8-11-10;/h11H,3-8H2,1-2H3;1H
InChIKey
CPFSKLKHOQJUGY-UHFFFAOYSA-N
Canonic Smiles
CCCC1(CCCCN1)C(=O)OC.Cl
Isomeric Smiles
C1CNC(CC1)(C(=O)OC)CCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5622168
LogD (pH = 7.4)
1.7927498
Log P
1.8931782
Molar Refractivity
51.2727
Polarizability
20.710838
Polar Surface Area
38.33
Rotatable Bonds
4
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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