Molecule

ID:52485

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NOS
Molecular Mass
241.30824
Exact Mass
241.05613498
Charge
0
InChI
InChI=1S/C14H11NOS/c1-16-14-8-7-12(9-13(14)15-10-17)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
TZRMLJYZKZTEFW-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1cc(ccc1OC)c1ccccc1
Isomeric Smiles
c1(c(ccc(c1)c1ccccc1)OC)N=C=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.484625
LogD (pH = 7.4)
4.4846253
Log P
4.4846253
Molar Refractivity
74.7203
Polarizability
29.594593
Polar Surface Area
21.59
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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