Molecule

ID:59436

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NOS
Molecular Mass
203.26026
Exact Mass
203.04048491
Charge
0
InChI
InChI=1S/C11H9NOS/c1-8-2-4-9(5-3-8)11-12-6-10(7-13)14-11/h2-7H,1H3
InChIKey
RYJVUGRGDUNLMS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnc(s1)c1ccc(cc1)C
Isomeric Smiles
c1(ncc(s1)C=O)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0151477
LogD (pH = 7.4)
3.0151718
Log P
3.015172
Molar Refractivity
67.7773
Polarizability
22.051464
Polar Surface Area
29.96
Rotatable Bonds
2
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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