Molecule

ID:35877

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClNO₂
Molecular Mass
221.7243
Exact Mass
221.11825657
Charge
0
InChI
InChI=1S/C10H19NO2.ClH/c1-2-13-9(12)8-10(11)6-4-3-5-7-10;/h2-8,11H2,1H3;1H
InChIKey
QNMPJIIZBIQAOH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC1(N)CCCCC1.Cl
Isomeric Smiles
C(C(=O)OCC)C1(N)CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6956056
LogD (pH = 7.4)
-1.0054871
Log P
1.3152784
Molar Refractivity
51.1243
Polarizability
20.710838
Polar Surface Area
52.32
Rotatable Bonds
4
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
No Data Available
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Molecule Details
References
Bioactivity
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