Molecule

ID:62350

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃BrN₂O₃S
Molecular Mass
321.19082
Exact Mass
319.98302529
Charge
0
InChI
InChI=1S/C10H13BrN2O3S/c1-17(14,15)13-4-5-16-10(7-13)9-3-2-8(11)6-12-9/h2-3,6,10H,4-5,7H2,1H3
InChIKey
AQPZPXRCHSEUQF-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(nc1)C1OCCN(C1)S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1CC(c2ncc(cc2)Br)OCC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.26246485
LogD (pH = 7.4)
0.26258215
Log P
0.26258364
Molar Refractivity
66.2364
Polarizability
26.91124
Polar Surface Area
59.5
Rotatable Bonds
1
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