Molecule

ID:272

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂S
Molecular Mass
186.2315
Exact Mass
186.04629857
Charge
0
InChI
InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3
InChIKey
CFOYWRHIYXMDOT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)n1ccn(c1=S)C
Isomeric Smiles
S=c1n(ccn1C(=O)OCC)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.35
LogD (pH = 5.5)
1.35
Log P
1.35
Rotatable Bonds
2
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Polar Surface Area
32.78
Polarizability
18.92
Molar Refractivity
49.17
LOG S
-1.81
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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