Molecule

ID:38508

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₇NO₄
Molecular Mass
381.46478
Exact Mass
381.19400835
Charge
0
InChI
InChI=1S/C23H27NO4/c25-22(26)14-4-2-1-3-9-15-24-23(27)28-16-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h5-8,10-13,21H,1-4,9,14-16H2,(H,24,27)(H,25,26)
InChIKey
QZQXRZXYWVQWAY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCNC(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
C(CCCCCCC(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
4.931998
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.109035
LogD (pH = 7.4)
2.347174
Log P
4.7805014
Molar Refractivity
107.9416
Polarizability
43.20833
Polar Surface Area
75.63
Rotatable Bonds
11
Lipinski's Rule of Five
true
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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