Molecule

ID:13615

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂OS
Molecular Mass
218.2749
Exact Mass
218.05138395
Charge
0
InChI
InChI=1S/C11H10N2OS/c12-8-3-1-4-9(7-8)13-11(14)10-5-2-6-15-10/h1-7H,12H2,(H,13,14)
InChIKey
XXGXTGNFZPKBNN-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)NC(=O)c1cccs1
Isomeric Smiles
c1cc(sc1)C(=O)Nc1cc(ccc1)N
Calculated Properties
JChem
Acid pKa
11.898867
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.1415277
LogD (pH = 7.4)
2.1489892
Log P
2.149086
Molar Refractivity
63.1818
Polarizability
22.751045
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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