Molecule

ID:28906

General Information
Structure
Molecular Formula
C₂₇H₄₉NO
Molecular Mass
403.68406
Exact Mass
403.38141519
Charge
0
InChI
InChI=1S/C27H49NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-23-28-25-26-19-21-27(22-20-26)29-24-6-4-2/h19-22,28H,3-18,23-25H2,1-2H3
InChIKey
VADYIMYGOUICRI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCNCc1ccc(cc1)OCCCC
Isomeric Smiles
c1(ccc(cc1)CNCCCCCCCCCCCCCCCC)OCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.1481943
LogD (pH = 7.4)
6.982597
Log P
9.356545
Molar Refractivity
128.7284
Polarizability
51.306835
Polar Surface Area
21.26
Rotatable Bonds
21
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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