Molecule

ID:15975

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆O₂S₂
Molecular Mass
280.40564
Exact Mass
280.05917175
Charge
0
InChI
InChI=1S/C14H16O2S2/c1-15-11-5-9-8-14(18-4)12(16-2)6-10(9)7-13(11)17-3/h5-8H,1-4H3
InChIKey
QZVUQXYXVFWFNC-UHFFFAOYSA-N
Canonic Smiles
COc1cc2cc(SC)c(cc2cc1SC)OC
Isomeric Smiles
c1(c(cc2c(c1)cc(c(c2)SC)OC)OC)SC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9038143
LogD (pH = 7.4)
3.9038143
Log P
3.9038143
Molar Refractivity
80.9524
Polarizability
32.673107
Polar Surface Area
18.46
Rotatable Bonds
4
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