Molecule

ID:82172

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂N₂S
Molecular Mass
264.34488
Exact Mass
264.07211939
Charge
0
InChI
InChI=1S/C16H12N2S/c17-16-18-15(9-19-16)11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)14/h1-6,8-9H,7H2,(H2,17,18)
InChIKey
ILZSNYCMULKIOG-UHFFFAOYSA-N
Canonic Smiles
Nc1scc(n1)c1ccc2c(c1)Cc1c2cccc1
Isomeric Smiles
n1c(scc1c1ccc2c(c1)Cc1c2cccc1)N
Calculated Properties
JChem
Acid pKa
16.05639
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.2707524
LogD (pH = 7.4)
4.2860136
Log P
4.286212
Molar Refractivity
79.0197
Polarizability
32.26433
Polar Surface Area
38.91
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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