Molecule

ID:125671

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O₂S
Molecular Mass
190.26326
Exact Mass
190.0775987
Charge
0
InChI
InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)
InChIKey
QGLZXHRNAYXIBU-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)ON=CC(SC)(C)C
Isomeric Smiles
O=C(O/N=C/C(SC)(C)C)NC
Calculated Properties
JChem
LogD (pH = 7.4)
1.28
LogD (pH = 5.5)
1.28
Log P
1.28
Rotatable Bonds
4
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
1.63
Polar Surface Area
50.69
Polarizability
20.26
Molar Refractivity
49.95
LOG S
-2.43
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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