Molecule

ID:52046

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂S
Molecular Mass
166.2434
Exact Mass
166.05646933
Charge
0
InChI
InChI=1S/C8H10N2S/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)
InChIKey
UCGFRIAOVLXVKL-UHFFFAOYSA-N
Canonic Smiles
NC(=S)NCc1ccccc1
Isomeric Smiles
N(C(=S)N)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
14.675466
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
1.4741849
LogD (pH = 7.4)
1.4741849
Log P
1.4741849
Molar Refractivity
50.6428
Polarizability
19.745396
Polar Surface Area
38.05
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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