Molecule

ID:38712

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆N₂O₆
Molecular Mass
366.40884
Exact Mass
366.17908656
Charge
0
InChI
InChI=1S/C18H26N2O6/c1-18(2,3)26-17(24)20-14(15(21)22)10-7-11-19-16(23)25-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)/t14-/m0/s1
InChIKey
QYYCZJUFHDLLOJ-AWEZNQCLSA-N
Canonic Smiles
O=C(OCc1ccccc1)NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
C([C@@H](C(=O)O)NC(=O)OC(C)(C)C)CCNC(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
3.7803996
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.77839905
LogD (pH = 7.4)
-0.77174675
Log P
2.4995277
Molar Refractivity
93.7615
Polarizability
36.82108
Polar Surface Area
113.96
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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