Molecule

ID:29037

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₁NO₂
Molecular Mass
293.44424
Exact Mass
293.23547924
Charge
0
InChI
InChI=1S/C18H31NO2/c1-3-5-6-7-8-12-19-16-17-10-9-11-18(15-17)21-14-13-20-4-2/h9-11,15,19H,3-8,12-14,16H2,1-2H3
InChIKey
KIONXNYQZRLWCO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCNCc1cccc(c1)OCCOCC
Isomeric Smiles
c1c(OCCOCC)cccc1CNCCCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1385695
LogD (pH = 7.4)
2.027608
Log P
4.341361
Molar Refractivity
89.2379
Polarizability
35.34125
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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