Molecule

ID:29758

General Information
Structure
MolImage
Molecular Formula
C₇H₈BrNO
Molecular Mass
202.04852
Exact Mass
200.97892588
Charge
0
InChI
InChI=1S/C7H8BrNO/c1-2-10-7-4-3-6(8)5-9-7/h3-5H,2H2,1H3
InChIKey
WQXZKMUZWPUZGL-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cn1)Br
Isomeric Smiles
c1(ccc(cn1)Br)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3179023
LogD (pH = 7.4)
2.31792
Log P
2.3179202
Molar Refractivity
43.0492
Polarizability
16.656364
Polar Surface Area
22.12
Rotatable Bonds
2
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