Molecule

ID:90882

General Information
Structure
MolImage
Molecular Formula
C₂₄H₄₉NO₃
Molecular Mass
399.65076
Exact Mass
399.37124443
Charge
0
InChI
InChI=1S/C24H49NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(27)22(21-26)25-24(28)20-17-6-4-2/h22-23,26-27H,3-21H2,1-2H3,(H,25,28)/t22-,23+/m0/s1
InChIKey
VUMHYWBWYSPQMM-XZOQPEGZSA-N
Canonic Smiles
CCCCCCCCCCCCCCC[C@H]([C@@H](NC(=O)CCCCC)CO)O
Isomeric Smiles
O=C(N[C@H]([C@H](O)CCCCCCCCCCCCCCC)CO)CCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
6.63
LogD (pH = 5.5)
6.63
Log P
6.63
Rotatable Bonds
21
H Donor
3
H Acceptors
3
Lipinski's Rule of Five
false
Acid pKa
13.86
Polar Surface Area
69.56
Polarizability
52.79
Molar Refractivity
118.80
LOG S
-8.66
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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