Molecule

ID:36706

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₅OS
Molecular Mass
185.20698
Exact Mass
185.03713087
Charge
0
InChI
InChI=1S/C5H7N5OS/c6-3(11)1-12-5-9-2-8-4(7)10-5/h2H,1H2,(H2,6,11)(H2,7,8,9,10)
InChIKey
YXQOXNAXBUZOFX-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CSc1ncnc(n1)N
Isomeric Smiles
n1cnc(nc1N)SCC(=O)N
Calculated Properties
JChem
Acid pKa
14.5822115
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.6288445
LogD (pH = 7.4)
-0.62771237
Log P
-0.62769794
Molar Refractivity
47.9273
Polarizability
16.879187
Polar Surface Area
107.78
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