Molecule

ID:29246

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO
Molecular Mass
221.33852
Exact Mass
221.17796436
Charge
0
InChI
InChI=1S/C14H23NO/c1-5-15-10-12(4)16-14-8-6-13(7-9-14)11(2)3/h6-9,11-12,15H,5,10H2,1-4H3
InChIKey
VQUPBVDAVIAHGH-UHFFFAOYSA-N
Canonic Smiles
CCNCC(Oc1ccc(cc1)C(C)C)C
Isomeric Smiles
c1(ccc(OC(CNCC)C)cc1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.26856884
LogD (pH = 7.4)
1.1737418
Log P
3.4695632
Molar Refractivity
68.6038
Polarizability
27.220615
Polar Surface Area
21.26
Rotatable Bonds
6
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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