Molecule

ID:64823

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₃S
Molecular Mass
214.2416
Exact Mass
214.04121319
Charge
0
InChI
InChI=1S/C8H10N2O3S/c1-3-13-7(12)6-4-9-8(14-6)10-5(2)11/h4H,3H2,1-2H3,(H,9,10,11)
InChIKey
SBDHKMXKGFVKBN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc(s1)NC(=O)C
Isomeric Smiles
s1c(cnc1NC(=O)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
10.654931
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0467204
LogD (pH = 7.4)
1.0464939
Log P
1.0467234
Molar Refractivity
52.1607
Polarizability
19.439276
Polar Surface Area
68.29
Rotatable Bonds
4
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