Molecule

ID:102433

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
InChIKey
OTKJDMGTUTTYMP-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(C(CO)N)O
Isomeric Smiles
CCCCCCCCCCCCCCCC(O)C(N)CO
Calculated Properties
JChem
LogD (pH = 7.4)
2.91
LogD (pH = 5.5)
1.81
Log P
4.77
Rotatable Bonds
16
H Donor
3
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.29
Polar Surface Area
66.48
Polarizability
40.52
Molar Refractivity
90.93
LOG S
-6.53
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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