Molecule

ID:45853

General Information
Structure
Molecular Formula
C₁₁H₂₀ClNO₂
Molecular Mass
233.735
Exact Mass
233.11825657
Charge
0
InChI
InChI=1S/C11H19NO2.ClH/c13-11(9-4-1-2-5-9)14-10-6-3-7-12-8-10;/h9-10,12H,1-8H2;1H
InChIKey
FSIJAPHSBAGFDT-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCC1)OC1CCCNC1.Cl
Isomeric Smiles
C(=O)(OC1CNCCC1)C1CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4343961
LogD (pH = 7.4)
-0.15574102
Log P
1.692643
Molar Refractivity
53.9496
Polarizability
21.825024
Polar Surface Area
38.33
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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