Molecule

ID:29612

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO
Molecular Mass
221.33852
Exact Mass
221.17796436
Charge
0
InChI
InChI=1S/C14H23NO/c1-5-13(4)15-6-7-16-14-9-11(2)8-12(3)10-14/h8-10,13,15H,5-7H2,1-4H3
InChIKey
GCDLYPKYGXDZJR-UHFFFAOYSA-N
Canonic Smiles
CCC(NCCOc1cc(C)cc(c1)C)C
Isomeric Smiles
c1(cc(cc(c1)C)C)OCCNC(CC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5659773
LogD (pH = 7.4)
1.4046685
Log P
3.7739193
Molar Refractivity
69.0194
Polarizability
27.143026
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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