Molecule

ID:77940

General Information
Structure
MolImage
Molecular Formula
C₆H₉NOS
Molecular Mass
143.20676
Exact Mass
143.04048491
Charge
0
InChI
InChI=1S/C6H9NOS/c1-8-5-2-3-9-6(5)4-7/h2-3H,4,7H2,1H3
InChIKey
GDDVAKBOBBYCLK-UHFFFAOYSA-N
Canonic Smiles
COc1ccsc1CN
Isomeric Smiles
s1ccc(c1CN)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9053237
LogD (pH = 7.4)
-0.35596135
Log P
0.8542244
Molar Refractivity
37.8845
Polarizability
14.864714
Polar Surface Area
35.25
Rotatable Bonds
2
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