Molecule

ID:14799

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₄S
Molecular Mass
235.30058
Exact Mass
235.08782903
Charge
0
InChI
InChI=1S/C9H17NO4S/c1-15(13,14)10(7-9(11)12)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,12)
InChIKey
WBJANPMYYORLBO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN(S(=O)(=O)C)C1CCCCC1
Isomeric Smiles
N(C1CCCCC1)(CC(=O)O)S(=O)(=O)C
Calculated Properties
JChem
Acid pKa
3.646438
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.6611835
LogD (pH = 7.4)
-3.1369085
Log P
0.18935646
Molar Refractivity
54.9591
Polarizability
22.523064
Polar Surface Area
74.68
Rotatable Bonds
3
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