Molecule

ID:77047

General Information
Structure
Molecular Formula
C₁₁H₉NOS
Molecular Mass
203.26026
Exact Mass
203.04048491
Charge
0
InChI
InChI=1S/C11H9NOS/c1-8-12-11(7-14-8)10-4-2-3-9(5-10)6-13/h2-7H,1H3
InChIKey
FQQPVEKQPGDYPD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)c1csc(n1)C
Isomeric Smiles
n1c(C)scc1c1cc(ccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5002134
LogD (pH = 7.4)
2.5006754
Log P
2.5006814
Molar Refractivity
57.0553
Polarizability
22.705416
Polar Surface Area
29.96
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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