Molecule
ID:86034
General Information
Molecular Formula
C₁₂H₈O₂S
Molecular Mass
216.25572
Exact Mass
216.0245005
Charge
0
InChI
InChI=1S/C12H8O2S/c1-3-11(13-5-1)9-7-15-8-10(9)12-4-2-6-14-12/h1-8H
InChIKey
IHDMPKLKNWGJMD-UHFFFAOYSA-N
Canonic Smiles
s1cc(c(c1)c1ccco1)c1ccco1
Isomeric Smiles
s1cc(c2ccco2)c(c1)c1ccco1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1686318
LogD (pH = 7.4)
3.1686318
Log P
3.1686318
Molar Refractivity
58.218
Polarizability
24.653744
Polar Surface Area
26.28
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...