Molecule

ID:78410

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇NO₆
Molecular Mass
283.27718
Exact Mass
283.10558727
Charge
0
InChI
InChI=1S/C13H17NO6/c15-6-8-10(16)11(17)9(13(19)20-8)14-12(18)7-4-2-1-3-5-7/h1-5,8-11,13,15-17,19H,6H2,(H,14,18)/t8-,9-,10-,11-,13+/m1/s1
InChIKey
VSGKVJPCJOJUBP-CJJWORHMSA-N
Canonic Smiles
OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)c1ccccc1
Isomeric Smiles
C(=O)(c1ccccc1)N[C@H]1[C@@H](O)O[C@@H]([C@H]([C@@H]1O)O)CO
Calculated Properties
JChem
Acid pKa
11.702734
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-1.3664006
LogD (pH = 7.4)
-1.3664216
Log P
-1.3664
Molar Refractivity
67.6952
Polarizability
26.801561
Polar Surface Area
119.25
Rotatable Bonds
3
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