Molecule

ID:25377

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO₂S
Molecular Mass
297.3715
Exact Mass
297.08234973
Charge
0
InChI
InChI=1S/C17H15NO2S/c1-3-11-7-8-15(21-11)14-9-13(17(19)20)12-6-4-5-10(2)16(12)18-14/h4-9H,3H2,1-2H3,(H,19,20)
InChIKey
QKWLXGLRSOUDTL-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(s1)c1cc(C(=O)O)c2c(n1)c(C)ccc2
Isomeric Smiles
n1c2c(c(cc1c1sc(cc1)CC)C(=O)O)cccc2C
Calculated Properties
JChem
Rotatable Bonds
3
Lipinski's Rule of Five
false
Acid pKa
3.5758376
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.2828622
LogD (pH = 7.4)
1.850881
Log P
5.202558
Molar Refractivity
83.5111
Polarizability
34.279736
Polar Surface Area
50.19
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