Molecule

ID:54746

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉NaO₆S
Molecular Mass
340.28313
Exact Mass
340.00175329
Charge
0
InChI
InChI=1S/C15H10O6S.Na/c16-13(15(18)22(19,20)21)8-5-6-10-9-3-1-2-4-11(9)14(17)12(10)7-8;/h1-7,15,18H,(H,19,20,21);/q;+1/p-1
InChIKey
WUOKPJITVPRBOJ-UHFFFAOYSA-M
Canonic Smiles
O=C1c2cc(ccc2c2c1cccc2)C(=O)C(S(=O)(=O)[O-])O.[Na+]
Isomeric Smiles
S(=O)(=O)(C(C(=O)c1cc2C(=O)c3c(c2cc1)cccc3)O)[O-].[Na+]
Calculated Properties
JChem
Acid pKa
-1.5606402
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-0.80338216
LogD (pH = 7.4)
-0.8035219
Log P
1.5730094
Molar Refractivity
76.535
Polarizability
31.491896
Polar Surface Area
111.57
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