Molecule

ID:101926

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NOS
Molecular Mass
241.30824
Exact Mass
241.05613498
Charge
0
InChI
InChI=1S/C14H11NOS/c17-11-15-13-6-8-14(9-7-13)16-10-12-4-2-1-3-5-12/h1-9H,10H2
InChIKey
OQXRBXAFSXVCCO-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
C(=Nc1ccc(OCc2ccccc2)cc1)=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5618706
LogD (pH = 7.4)
4.561873
Log P
4.561873
Molar Refractivity
74.1967
Polarizability
28.16936
Polar Surface Area
21.59
Rotatable Bonds
4
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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