Molecule

ID:86003

General Information
Structure
Molecular Formula
C₁₃H₁₀OS₂
Molecular Mass
246.3479
Exact Mass
246.01730694
Charge
0
InChI
InChI=1S/C13H10OS2/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h1-10H
InChIKey
IWLDEULFZPGROA-UHFFFAOYSA-N
Canonic Smiles
O=C(/C=C/c1cccs1)/C=C/c1cccs1
Isomeric Smiles
s1c(ccc1)/C=C/C(=O)/C=C/c1cccs1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.6509066
LogD (pH = 7.4)
4.6509066
Log P
4.6509066
Molar Refractivity
70.807
Polarizability
26.167547
Polar Surface Area
17.07
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
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
Bioactivity
Navigation