Molecule

ID:21683

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂O₆
Molecular Mass
390.43024
Exact Mass
390.17908656
Charge
0
InChI
InChI=1S/C20H26N2O6/c23-17(9-4-10-18(24)25)22-12-11-21-20(27)16(22)14-19(26)28-13-5-8-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H,21,27)(H,24,25)
InChIKey
VXCQIBZUZZUOQU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCC(=O)N1CCNC(=O)C1CC(=O)OCCCc1ccccc1
Isomeric Smiles
N1(C(C(=O)NCC1)CC(=O)OCCCc1ccccc1)C(=O)CCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.000939
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.5683501
LogD (pH = 7.4)
-2.2182984
Log P
0.9402364
Molar Refractivity
99.8551
Polarizability
39.161522
Polar Surface Area
113.01
Rotatable Bonds
11
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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