Molecule

ID:61358

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₃S
Molecular Mass
258.2924
Exact Mass
258.03506518
Charge
0
InChI
InChI=1S/C14H10O3S/c1-8-11(15)5-4-10-13(16)12(17-14(8)10)7-9-3-2-6-18-9/h2-7,15H,1H3/b12-7-
InChIKey
HFFHCUYHNNOYCW-GHXNOFRVSA-N
Canonic Smiles
O=C1/C(=C/c2cccs2)/Oc2c1ccc(c2C)O
Isomeric Smiles
C\1(=C/c2sccc2)/Oc2c(C1=O)ccc(c2C)O
Calculated Properties
JChem
Acid pKa
8.093098
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.3239121
LogD (pH = 7.4)
3.2454276
Log P
3.3250117
Molar Refractivity
70.9583
Polarizability
26.310556
Polar Surface Area
46.53
Rotatable Bonds
1
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