Molecule

ID:64442

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂O₂S
Molecular Mass
210.2529
Exact Mass
210.04629857
Charge
0
InChI
InChI=1S/C9H10N2O2S/c1-3-13-8(12)7-6(2)10-9-11(7)4-5-14-9/h4-5H,3H2,1-2H3
InChIKey
NSUFDDBQLKSSIN-UHFFFAOYSA-N
Canonic Smiles
Cc1nc2n(c1C(=O)OCC)ccs2
Isomeric Smiles
c1(n2c(nc1C)scc2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2687323
LogD (pH = 7.4)
1.2689966
Log P
1.269
Molar Refractivity
64.7553
Polarizability
20.08742
Polar Surface Area
43.6
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