Molecule
ID:83728
General Information
Molecular Formula
C₁₃H₈Br₂OS
Molecular Mass
372.07502
Exact Mass
369.86625988
Charge
0
InChI
InChI=1S/C13H8Br2OS/c14-10-7-3-1-2-4-8(7)12(16)9-5-6-17-13(9)11(10)15/h1-6,10-11H
InChIKey
FMLHOINVMYQJPG-UHFFFAOYSA-N
Canonic Smiles
BrC1C(Br)c2sccc2C(=O)c2c1cccc2
Isomeric Smiles
s1c2c(C(=O)c3c(cccc3)C(C2Br)Br)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.838964
LogD (pH = 7.4)
4.838964
Log P
4.838964
Molar Refractivity
76.5956
Polarizability
29.174364
Polar Surface Area
17.07
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...