Molecule

ID:113419

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O₂S
Molecular Mass
174.2208
Exact Mass
174.04629857
Charge
0
InChI
InChI=1S/C6H10N2O2S/c1-10-5(9)4-8-2-3-11-6(8)7/h7H,2-4H2,1H3
InChIKey
CGXRZECJZLGZEH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CN1CCSC1=N
Isomeric Smiles
C1(=N)N(CC(=O)OC)CCS1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9241242
LogD (pH = 7.4)
-0.41466865
Log P
0.14571296
Molar Refractivity
54.1365
Polarizability
16.832539
Polar Surface Area
53.39
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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