Molecule

ID:13413

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO₂
Molecular Mass
235.32204
Exact Mass
235.15722892
Charge
0
InChI
InChI=1S/C14H21NO2/c1-16-13-8-7-11(14(9-13)17-2)10-15-12-5-3-4-6-12/h7-9,12,15H,3-6,10H2,1-2H3
InChIKey
LSYCGNNWVCZOGE-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)ccc1CNC1CCCC1
Isomeric Smiles
c1c(cc(c(c1)CNC1CCCC1)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5743671
LogD (pH = 7.4)
0.6426031
Log P
2.570954
Molar Refractivity
68.6456
Polarizability
27.209942
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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