Molecule

ID:29446

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₁NO
Molecular Mass
277.44484
Exact Mass
277.24056462
Charge
0
InChI
InChI=1S/C18H31NO/c1-3-5-7-9-14-19-17-12-11-13-18(16-17)20-15-10-8-6-4-2/h11-13,16,19H,3-10,14-15H2,1-2H3
InChIKey
XOICMBZRPUDMHT-UHFFFAOYSA-N
Canonic Smiles
CCCCCCNc1cccc(c1)OCCCCCC
Isomeric Smiles
c1c(NCCCCCC)cccc1OCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.6706667
LogD (pH = 7.4)
5.713846
Log P
5.7144256
Molar Refractivity
88.8662
Polarizability
34.287277
Polar Surface Area
21.26
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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