Molecule

ID:29287

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₁NO
Molecular Mass
277.44484
Exact Mass
277.24056462
Charge
0
InChI
InChI=1S/C18H31NO/c1-3-5-7-8-9-10-15-19-17-11-13-18(14-12-17)20-16-6-4-2/h11-14,19H,3-10,15-16H2,1-2H3
InChIKey
TZCAEBBTWZJCDS-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCNc1ccc(cc1)OCCCC
Isomeric Smiles
c1(NCCCCCCCC)ccc(cc1)OCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.166896
LogD (pH = 7.4)
5.700725
Log P
5.7144256
Molar Refractivity
88.8662
Polarizability
34.286053
Polar Surface Area
21.26
Rotatable Bonds
12
Lipinski's Rule of Five
false
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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