Molecule

ID:8507

General Information
Structure
MolImage
Molecular Formula
C₇H₇BrS
Molecular Mass
203.09948
Exact Mass
201.94518322
Charge
0
InChI
InChI=1S/C7H7BrS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey
YEUYZNNBXLMFCW-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(cc1)Br
Isomeric Smiles
c1(ccc(cc1)Br)SC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3702157
LogD (pH = 7.4)
3.3702157
Log P
3.3702157
Molar Refractivity
46.4397
Polarizability
17.95031
Polar Surface Area
0.0
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
References
Bioactivity
Navigation