Molecule

ID:79448

General Information
Structure
Molecular Formula
C₁₉H₃₁NO₂
Molecular Mass
305.45494
Exact Mass
305.23547924
Charge
0
InChI
InChI=1S/C19H31NO2/c1-3-5-7-9-15-20(16-10-8-6-4-2)18-13-11-17(12-14-18)19(21)22/h11-14H,3-10,15-16H2,1-2H3,(H,21,22)
InChIKey
HFSILWPEYUZTCM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCN(c1ccc(cc1)C(=O)O)CCCCCC
Isomeric Smiles
N(c1ccc(cc1)C(=O)O)(CCCCCC)CCCCCC
Calculated Properties
JChem
Acid pKa
3.7230353
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.223359
LogD (pH = 7.4)
3.535857
Log P
5.542294
Molar Refractivity
93.894
Polarizability
35.896427
Polar Surface Area
40.54
Rotatable Bonds
12
Lipinski's Rule of Five
false
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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