Molecule

ID:15719

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀ClNO₂
Molecular Mass
233.735
Exact Mass
233.11825657
Charge
0
InChI
InChI=1S/C11H19NO2.ClH/c13-11(14)9-5-7-12(8-6-9)10-3-1-2-4-10;/h9-10H,1-8H2,(H,13,14);1H
InChIKey
JLFACGVVEAOMKX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCN(CC1)C1CCCC1.Cl
Isomeric Smiles
C1(N2CCC(CC2)C(=O)O)CCCC1.Cl
Calculated Properties
JChem
Acid pKa
4.283556
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1337012
LogD (pH = 7.4)
-1.1132075
Log P
-1.1133828
Molar Refractivity
54.7832
Polarizability
21.574009
Polar Surface Area
40.54
Rotatable Bonds
2
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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