Molecule

ID:103263

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₂N₂O₆
Molecular Mass
468.54208
Exact Mass
468.22603675
Charge
0
InChI
InChI=1S/C26H32N2O6/c1-26(2,3)34-25(32)28-22(23(29)30)14-8-9-15-27-24(31)33-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,27,31)(H,28,32)(H,29,30)/t22-/m0/s1
InChIKey
JYEVQYFWINBXJU-QFIPXVFZSA-N
Canonic Smiles
O=C(OCC1c2ccccc2c2c1cccc2)NCCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1c2c(cccc2)c2c1cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7663484
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
2.670811
LogD (pH = 7.4)
1.1279998
Log P
4.405514
Molar Refractivity
126.7623
Polarizability
50.63361
Polar Surface Area
113.96
Rotatable Bonds
12
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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