Molecule

ID:129357

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₉NO₂
Molecular Mass
301.50776
Exact Mass
301.29807949
Charge
0
InChI
InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18-/m0/s1
InChIKey
OTKJDMGTUTTYMP-ROUUACIJSA-N
Canonic Smiles
CCCCCCCCCCCCCCC[C@@H]([C@H](CO)N)O
Isomeric Smiles
OC[C@H](N)[C@@H](O)CCCCCCCCCCCCCCC
Calculated Properties
JChem
Acid pKa
14.419876
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.8097895
LogD (pH = 7.4)
2.9092555
Log P
4.7725945
Molar Refractivity
90.9294
Polarizability
36.661594
Polar Surface Area
66.48
Rotatable Bonds
16
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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