Molecule

ID:130583

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆N₂O₅
Molecular Mass
350.40944
Exact Mass
350.18417194
Charge
0
InChI
InChI=1S/C18H26N2O5/c1-11(2)13-6-5-7-14(12(3)4)18(13)19-15(21)8-20(9-16(22)23)10-17(24)25/h5-7,11-12H,8-10H2,1-4H3,(H,19,21)(H,22,23)(H,24,25)
InChIKey
UDUSOMRJOPCWHT-UHFFFAOYSA-N
Canonic Smiles
CC(c1cccc(c1NC(=O)CN(CC(=O)O)CC(=O)O)C(C)C)C
Isomeric Smiles
CC(C)c1cccc(c1NC(=O)CN(CC(=O)O)CC(=O)O)C(C)C
Calculated Properties
JChem
Acid pKa
3.114564
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-1.3524778
LogD (pH = 7.4)
-4.048187
Log P
1.0061541
Molar Refractivity
94.9008
Polarizability
36.065315
Polar Surface Area
106.94
Rotatable Bonds
9
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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