Molecule

ID:38752

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₉NO₆
Molecular Mass
369.36796
Exact Mass
369.12123733
Charge
0
InChI
InChI=1S/C20H19NO6/c1-20(18(24)25,10-17(22)23)21-19(26)27-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3,(H,21,26)(H,22,23)(H,24,25)/t20-/m0/s1
InChIKey
PRUJSTWSXWCYQN-FQEVSTJZSA-N
Canonic Smiles
OC(=O)C[C@@](C(=O)O)(NC(=O)OCC1c2ccccc2c2c1cccc2)C
Isomeric Smiles
C([C@@](C)(C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5307975
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
0.51192546
LogD (pH = 7.4)
-2.5442421
Log P
2.836271
Molar Refractivity
95.3258
Polarizability
38.210262
Polar Surface Area
112.93
Rotatable Bonds
7
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
暂无数据
点击上传数据
References
Bioactivity
Navigation