Molecule

ID:35387

General Information
Structure
MolImage
Molecular Formula
C₅H₈ClN₃OS
Molecular Mass
193.65452
Exact Mass
193.00766057
Charge
0
InChI
InChI=1S/C5H8ClN3OS/c1-9(2-3-10)5-4(6)7-11-8-5/h10H,2-3H2,1H3
InChIKey
WEJOQMYKEIAUSZ-UHFFFAOYSA-N
Canonic Smiles
CN(c1nsnc1Cl)CCO
Isomeric Smiles
c1(c(nsn1)Cl)N(CCO)C
Calculated Properties
JChem
Acid pKa
15.5769825
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.1923172
LogD (pH = 7.4)
1.1923187
Log P
1.1923187
Molar Refractivity
47.7347
Polarizability
16.7002
Polar Surface Area
49.25
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