Molecule

ID:10561

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂OS
Molecular Mass
216.25902
Exact Mass
216.03573389
Charge
0
InChI
InChI=1S/C11H8N2OS/c14-11(10-8-12-6-7-13-10)15-9-4-2-1-3-5-9/h1-8H
InChIKey
SHGTVHYSQCVCTF-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cnccn1)Sc1ccccc1
Isomeric Smiles
c1cncc(n1)C(=O)Sc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.859741
LogD (pH = 7.4)
1.8597412
Log P
1.8597412
Molar Refractivity
59.6184
Polarizability
23.093283
Polar Surface Area
42.85
Rotatable Bonds
3
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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