Molecule

ID:122817

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂OS
Molecular Mass
268.33358
Exact Mass
268.06703401
Charge
0
InChI
InChI=1S/C15H12N2OS/c19-15-17-16-14(18-15)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,17,19)
InChIKey
YCCKTVQLIQQBMK-UHFFFAOYSA-N
Canonic Smiles
Sc1nnc(o1)C(c1ccccc1)c1ccccc1
Isomeric Smiles
c1(oc(nn1)S)C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
7.152049
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3571293
LogD (pH = 7.4)
2.9517639
Log P
3.3663375
Molar Refractivity
78.2988
Polarizability
29.457775
Polar Surface Area
38.92
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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