Molecule

ID:56025

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂OS
Molecular Mass
206.2642
Exact Mass
206.05138395
Charge
0
InChI
InChI=1S/C10H10N2OS/c1-12-10(13)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,11H2,1H3,(H,12,13)
InChIKey
FHARQFBENYPJGX-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1cc2c(s1)ccc(c2)N
Isomeric Smiles
c1(sc2c(c1)cc(N)cc2)C(=O)NC
Calculated Properties
JChem
Acid pKa
14.533069
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.221157
LogD (pH = 7.4)
1.227025
Log P
1.2271005
Molar Refractivity
57.8577
Polarizability
22.31627
Polar Surface Area
55.12
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
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Molecule Details
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References
Bioactivity
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