Molecule

ID:38498

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₇NO₄
Molecular Mass
381.46478
Exact Mass
381.19400835
Charge
0
InChI
InChI=1S/C23H27NO4/c1-2-3-4-5-14-21(22(25)26)24-23(27)28-15-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,20-21H,2-5,14-15H2,1H3,(H,24,27)(H,25,26)
InChIKey
UUXKLESQZZGPLH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
C(CCCCCC)(C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
4.0043945
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.840851
LogD (pH = 7.4)
2.1895702
Log P
5.346114
Molar Refractivity
107.5051
Polarizability
43.20833
Polar Surface Area
75.63
Rotatable Bonds
10
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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