Molecule

ID:82146

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₃S
Molecular Mass
229.296
Exact Mass
229.07726435
Charge
0
InChI
InChI=1S/C10H15NO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3,(H2,11,12,13)
InChIKey
GJCVWKPGGOMFQR-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)S(=O)(=O)N
Isomeric Smiles
O(c1ccc(cc1)S(=O)(=O)N)CCCC
Calculated Properties
JChem
Acid pKa
10.500675
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7455004
LogD (pH = 7.4)
1.7451993
Log P
1.7455044
Molar Refractivity
58.5527
Polarizability
23.662123
Polar Surface Area
69.39
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