Molecule

ID:40294

General Information
Structure
Molecular Formula
C₄H₈N₂O₂S
Molecular Mass
148.18352
Exact Mass
148.03064851
Charge
0
InChI
InChI=1S/C4H8N2O2S/c1-6-3(8)2(7)5-4(6)9/h2-3,7-8H,1H3,(H,5,9)
InChIKey
PMLULKKCEWWGHV-UHFFFAOYSA-N
Canonic Smiles
OC1NC(=S)N(C1O)C
Isomeric Smiles
N1(C(=S)NC(C1O)O)C
Calculated Properties
JChem
Acid pKa
11.934525
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
-0.70293236
LogD (pH = 7.4)
-0.70294476
Log P
-0.70290893
Molar Refractivity
35.9144
Polarizability
14.367653
Polar Surface Area
55.73
Rotatable Bonds
0
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