Molecule

ID:63797

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₂
Molecular Mass
237.33792
Exact Mass
237.17287898
Charge
0
InChI
InChI=1S/C14H23NO2/c1-14(2,3)17-13(16)15-8-6-12(7-9-15)10-11-4-5-11/h10-11H,4-9H2,1-3H3
InChIKey
WGDYDVQPHSWODG-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(=CC2CC2)CC1)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(=CC2CC2)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.534551
LogD (pH = 7.4)
2.534551
Log P
2.534551
Molar Refractivity
69.1775
Polarizability
26.715235
Polar Surface Area
29.54
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
References
Bioactivity
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