Molecule

ID:21135

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃NO₂
Molecular Mass
213.31652
Exact Mass
213.17287898
Charge
0
InChI
InChI=1S/C12H23NO2/c1-3-11(9-13-6-1)5-8-14-10-12-4-2-7-15-12/h11-13H,1-10H2
InChIKey
KZTXXCCGELOEEL-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CCOCC1CCCO1
Isomeric Smiles
N1CC(CCOCC2OCCC2)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1422563
LogD (pH = 7.4)
-1.7662134
Log P
1.092066
Molar Refractivity
60.8426
Polarizability
24.283567
Polar Surface Area
30.49
Rotatable Bonds
5
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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