Molecule

ID:64641

General Information
Structure
Molecular Formula
C₈H₅BrClNS
Molecular Mass
262.554
Exact Mass
260.90145985
Charge
0
InChI
InChI=1S/C8H5BrClNS/c9-4-5-3-6-7(12-5)1-2-11-8(6)10/h1-3H,4H2
InChIKey
WFAPVCILZFJNIT-UHFFFAOYSA-N
Canonic Smiles
BrCc1sc2c(c1)c(Cl)ncc2
Isomeric Smiles
c1cnc(c2c1sc(c2)CBr)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3609953
LogD (pH = 7.4)
3.3609967
Log P
3.3609967
Molar Refractivity
55.7418
Polarizability
22.118847
Polar Surface Area
12.89
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