Molecule

ID:134010

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂OS
Molecular Mass
206.2642
Exact Mass
206.05138395
Charge
0
InChI
InChI=1S/C10H10N2OS/c1-7-9(13)12(10(14)11-7)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)
InChIKey
XGPFPXALZVOKRI-UHFFFAOYSA-N
Canonic Smiles
S=C1NC(C(=O)N1c1ccccc1)C
Isomeric Smiles
CC1C(=O)N(C(=S)N1)c1ccccc1
Calculated Properties
JChem
Acid pKa
11.662264
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8900476
LogD (pH = 7.4)
1.8900243
Log P
1.8900479
Molar Refractivity
58.2052
Polarizability
22.738993
Polar Surface Area
32.34
Rotatable Bonds
1
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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