Molecule

ID:25846

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₃S
Molecular Mass
262.32416
Exact Mass
262.06636531
Charge
0
InChI
InChI=1S/C14H14O3S/c1-16-14-5-4-11(8-15)7-12(14)9-18-10-13-3-2-6-17-13/h2-8H,9-10H2,1H3
InChIKey
OUUNDDNGUOPFBR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1CSCc1ccco1)C=O
Isomeric Smiles
c1(c(ccc(c1)C=O)OC)CSCc1occc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.92414
LogD (pH = 7.4)
2.92414
Log P
2.92414
Molar Refractivity
73.8074
Polarizability
27.940434
Polar Surface Area
39.44
Rotatable Bonds
6
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