Molecule

ID:29242

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO
Molecular Mass
221.33852
Exact Mass
221.17796436
Charge
0
InChI
InChI=1S/C14H23NO/c1-5-15-10-11-16-13-8-6-12(7-9-13)14(2,3)4/h6-9,15H,5,10-11H2,1-4H3
InChIKey
JTDDIEJCERZXRI-UHFFFAOYSA-N
Canonic Smiles
CCNCCOc1ccc(cc1)C(C)(C)C
Isomeric Smiles
C(c1ccc(cc1)OCCNCC)(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.16655803
LogD (pH = 7.4)
1.1818372
Log P
3.3530354
Molar Refractivity
68.6601
Polarizability
27.21993
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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