Molecule

ID:14753

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁NO₂
Molecular Mass
211.30064
Exact Mass
211.15722892
Charge
0
InChI
InChI=1S/C12H21NO2/c1-10(2)14-8-4-7-13-9-12-6-5-11(3)15-12/h5-6,10,13H,4,7-9H2,1-3H3
InChIKey
NGWZBMUONSHXQN-UHFFFAOYSA-N
Canonic Smiles
CC(OCCCNCc1ccc(o1)C)C
Isomeric Smiles
c1(oc(cc1)C)CNCCCOC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2414072
LogD (pH = 7.4)
0.42510998
Log P
1.5777699
Molar Refractivity
61.9229
Polarizability
24.061798
Polar Surface Area
34.4
Rotatable Bonds
7
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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