Molecule

ID:40089

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃FO₂S
Molecular Mass
276.3259232
Exact Mass
276.06202888
Charge
0
InChI
InChI=1S/C15H13FO2S/c1-18-15(17)13-7-2-3-8-14(13)19-10-11-5-4-6-12(16)9-11/h2-9H,10H2,1H3
InChIKey
HZYHMYGNFVXVGY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1SCc1cccc(c1)F
Isomeric Smiles
c1(C(=O)OC)c(SCc2cc(F)ccc2)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.368337
LogD (pH = 7.4)
4.368337
Log P
4.368337
Molar Refractivity
75.7204
Polarizability
28.884348
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation