Molecule

ID:128808

General Information
Structure
Molecular Formula
C₁₈H₃₇NO₂
Molecular Mass
299.49188
Exact Mass
299.28242943
Charge
0
InChI
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)
InChIKey
HXYVTAGFYLMHSO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)NCCO
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)NCCO
Calculated Properties
JChem
LogD (pH = 7.4)
4.98
LogD (pH = 5.5)
4.98
Log P
4.98
Rotatable Bonds
16
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
15.46
Polar Surface Area
49.33
Polarizability
40.03
Molar Refractivity
90.09
LOG S
-6.61
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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