Molecule

ID:102305

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃NO₆
Molecular Mass
337.36762
Exact Mass
337.15253746
Charge
0
InChI
InChI=1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(15(20)21)9-10-14(19)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21)/t13-/m0/s1
InChIKey
AJDUMMXHVCMISJ-ZDUSSCGKSA-N
Canonic Smiles
O=C(OCc1ccccc1)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7337904
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.6644428
LogD (pH = 7.4)
-0.8609401
Log P
2.4306026
Molar Refractivity
85.5424
Polarizability
33.835136
Polar Surface Area
101.93
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation