Molecule

ID:52084

General Information
Structure
Molecular Formula
C₅H₅NOS
Molecular Mass
127.1643
Exact Mass
127.00918479
Charge
0
InChI
InChI=1S/C5H5NOS/c1-2-3-5(7)6-4-8/h2-3H,1H3/b3-2+
InChIKey
GGYYXENTGJDZTN-NSCUHMNNSA-N
Canonic Smiles
C/C=C/C(=O)N=C=S
Isomeric Smiles
C(=O)(/C=C/C)N=C=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.525407
LogD (pH = 7.4)
1.525407
Log P
1.525407
Molar Refractivity
36.1195
Polarizability
13.649471
Polar Surface Area
29.43
Rotatable Bonds
1
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