Molecule

ID:52563

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂S
Molecular Mass
194.29656
Exact Mass
194.08776946
Charge
0
InChI
InChI=1S/C10H14N2S/c1-6-4-7(2)9(8(3)5-6)12-10(11)13/h4-5H,1-3H3,(H3,11,12,13)
InChIKey
LBUGQLLKHAHCJJ-UHFFFAOYSA-N
Canonic Smiles
NC(=S)Nc1c(C)cc(cc1C)C
Isomeric Smiles
N(C(=S)N)c1c(cc(cc1C)C)C
Calculated Properties
JChem
Acid pKa
9.57633
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
3.30751
LogD (pH = 7.4)
3.3048046
Log P
3.3075445
Molar Refractivity
62.7122
Polarizability
23.19658
Polar Surface Area
38.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
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
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References
Bioactivity
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