Molecule

ID:71089

General Information
Structure
MolImage
Molecular Formula
C₄H₅NOS
Molecular Mass
115.1536
Exact Mass
115.00918479
Charge
0
InChI
InChI=1S/C4H5NOS/c1-7-4-5-2-3-6-4/h2-3H,1H3
InChIKey
XVLXLLHKDRNMGK-UHFFFAOYSA-N
Canonic Smiles
CSc1ncco1
Isomeric Smiles
o1c(ncc1)SC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2276039
LogD (pH = 7.4)
1.2276044
Log P
1.2276044
Molar Refractivity
28.9996
Polarizability
11.252826
Polar Surface Area
26.03
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