Molecule

ID:27285

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂OS
Molecular Mass
184.25868
Exact Mass
184.06703401
Charge
0
InChI
InChI=1S/C8H12N2OS/c1-5(2)7-3-6(4-12-7)8(11)10-9/h3-5H,9H2,1-2H3,(H,10,11)
InChIKey
OYFSBVOPCBAOFA-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1csc(c1)C(C)C
Isomeric Smiles
c1(cc(sc1)C(C)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.498865
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6845348
LogD (pH = 7.4)
1.6852913
Log P
1.685301
Molar Refractivity
50.7782
Polarizability
18.719868
Polar Surface Area
55.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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