Molecule

ID:51376

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₂S
Molecular Mass
277.38186
Exact Mass
277.11364985
Charge
0
InChI
InChI=1S/C15H19NO2S/c17-14(18)13-10-19-15(16-13)8-6-12(7-9-15)11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,17,18)
InChIKey
QDANBNHEWQZATI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CSC2(N1)CCC(CC2)c1ccccc1
Isomeric Smiles
N1C(C(=O)O)CSC21CCC(CC2)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.1762402
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.6293737
LogD (pH = 7.4)
0.4946081
Log P
0.6271053
Molar Refractivity
76.8814
Polarizability
30.47189
Polar Surface Area
49.33
Rotatable Bonds
2
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