Molecule

ID:58041

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂S
Molecular Mass
207.24896
Exact Mass
207.03539953
Charge
0
InChI
InChI=1S/C10H9NO2S/c1-13-10(12)6-8-2-4-9(5-3-8)11-7-14/h2-5H,6H2,1H3
InChIKey
YJVMZRQLTVUMTL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1ccc(cc1)N=C=S
Isomeric Smiles
C(=Nc1ccc(CC(=O)OC)cc1)=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7787118
LogD (pH = 7.4)
2.7787135
Log P
2.7787135
Molar Refractivity
59.1976
Polarizability
22.306671
Polar Surface Area
38.66
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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