Molecule

ID:59937

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀ClNO₄S
Molecular Mass
345.8416
Exact Mass
345.08015681
Charge
0
InChI
InChI=1S/C15H20ClNO4S/c16-12-4-6-13(7-5-12)22(20,21)17-11-15(10-14(18)19)8-2-1-3-9-15/h4-7,17H,1-3,8-11H2,(H,18,19)
InChIKey
PVRBTYSULFFZLN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1(CCCCC1)CNS(=O)(=O)c1ccc(cc1)Cl
Isomeric Smiles
S(=O)(=O)(NCC1(CC(=O)O)CCCCC1)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
3.727947
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.2517748
LogD (pH = 7.4)
-0.2726438
Log P
3.0236084
Molar Refractivity
84.3269
Polarizability
33.917755
Polar Surface Area
83.47
Rotatable Bonds
5
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