Molecule

ID:41797

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NOS
Molecular Mass
203.26026
Exact Mass
203.04048491
Charge
0
InChI
InChI=1S/C11H9NOS/c1-8(13)10-7-12-11(14-10)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
QAJAPTFQPWENFK-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cnc(s1)c1ccccc1
Isomeric Smiles
s1c(cnc1c1ccccc1)C(=O)C
Calculated Properties
JChem
Acid pKa
14.486888
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3468766
LogD (pH = 7.4)
2.3468955
Log P
2.3468957
Molar Refractivity
66.5549
Polarizability
22.130604
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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