Molecule

ID:58048

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₄S
Molecular Mass
253.27434
Exact Mass
253.04087884
Charge
0
InChI
InChI=1S/C11H11NO4S/c1-14-9-4-7(11(13)16-3)8(12-6-17)5-10(9)15-2/h4-5H,1-3H3
InChIKey
PANPMBOPZUDGBQ-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1cc(OC)c(cc1C(=O)OC)OC
Isomeric Smiles
c1(c(cc(c(c1)OC)OC)N=C=S)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.6832054
LogD (pH = 7.4)
2.6832054
Log P
2.6832054
Molar Refractivity
68.0726
Polarizability
25.50889
Polar Surface Area
57.12
Rotatable Bonds
5
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