Molecule

ID:38507

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₅NO₄
Molecular Mass
367.4382
Exact Mass
367.17835829
Charge
0
InChI
InChI=1S/C22H25NO4/c24-21(25)13-3-1-2-8-14-23-22(26)27-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20H,1-3,8,13-15H2,(H,23,26)(H,24,25)
InChIKey
FRPYXTFBPCYALT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCNC(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
C(CCCCCC(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
4.371959
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.1784189
LogD (pH = 7.4)
1.4264735
Log P
4.3359327
Molar Refractivity
103.3406
Polarizability
41.36471
Polar Surface Area
75.63
Rotatable Bonds
10
Lipinski's Rule of Five
true
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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