Molecule

ID:67041

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₂S
Molecular Mass
211.28072
Exact Mass
211.06669966
Charge
0
InChI
InChI=1S/C10H13NO2S/c1-2-13-10(12)9-5-7-6-11-4-3-8(7)14-9/h5,11H,2-4,6H2,1H3
InChIKey
HLYOOHYZCZJODO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2c(s1)CCNC2
Isomeric Smiles
C1c2c(CCN1)sc(c2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.817737
LogD (pH = 7.4)
0.8598753
Log P
1.9770888
Molar Refractivity
56.1739
Polarizability
21.527617
Polar Surface Area
38.33
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