Molecule

ID:29035

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₁NO₂
Molecular Mass
293.44424
Exact Mass
293.23547924
Charge
0
InChI
InChI=1S/C18H31NO2/c1-3-5-6-7-10-13-19-16-17-11-8-9-12-18(17)21-15-14-20-4-2/h8-9,11-12,19H,3-7,10,13-16H2,1-2H3
InChIKey
WHOSAIQOVJAWFI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCNCc1ccccc1OCCOCC
Isomeric Smiles
c1(c(OCCOCC)cccc1)CNCCCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2003381
LogD (pH = 7.4)
2.4328976
Log P
4.341361
Molar Refractivity
89.2379
Polarizability
35.341465
Polar Surface Area
30.49
Rotatable Bonds
13
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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