Molecule

ID:90880

General Information
Structure
MolImage
Molecular Formula
C₂₄H₄₇NO₃
Molecular Mass
397.63488
Exact Mass
397.35559437
Charge
0
InChI
InChI=1S/C24H47NO3/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/h18-19,22-23,26-27H,3-17,20-21H2,1-2H3,(H,25,28)/b19-18+/t22-,23+/m1/s1
InChIKey
NPRJSFWNFTXXQC-GWGOZDFZSA-N
Canonic Smiles
CCCCCCCCCCCCC/C=C/[C@@H]([C@H](NC(=O)CCCCC)CO)O
Isomeric Smiles
CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](CO)NC(=O)CCCCC
Calculated Properties
JChem
Acid pKa
13.63898
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
6.4196672
LogD (pH = 7.4)
6.419668
Log P
6.4196687
Molar Refractivity
119.7657
Polarizability
47.144634
Polar Surface Area
69.56
Rotatable Bonds
20
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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