Molecule

ID:52302

General Information
Structure
Molecular Formula
C₈H₉Br
Molecular Mass
185.06106
Exact Mass
183.98876229
Charge
0
InChI
InChI=1S/C8H9Br/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
InChIKey
MYMYVYZLMUEVED-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1Br)C
Isomeric Smiles
Cc1c(c(ccc1)C)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7688413
LogD (pH = 7.4)
3.7688413
Log P
3.7688413
Molar Refractivity
43.7632
Polarizability
16.585594
Polar Surface Area
0.0
Rotatable Bonds
0
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