Molecule

ID:45837

General Information
Structure
Molecular Formula
C₁₁H₂₀ClNO₂
Molecular Mass
233.735
Exact Mass
233.11825657
Charge
0
InChI
InChI=1S/C11H19NO2.ClH/c13-11(10-2-1-3-10)14-8-9-4-6-12-7-5-9;/h9-10,12H,1-8H2;1H
InChIKey
NDMUJHYXVCLFLA-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCC1)OCC1CCNCC1.Cl
Isomeric Smiles
C(=O)(OCC1CCNCC1)C1CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9801487
LogD (pH = 7.4)
-1.5193771
Log P
1.2512722
Molar Refractivity
54.3874
Polarizability
21.825024
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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