Molecule

ID:74233

General Information
Structure
MolImage
Molecular Formula
C₈H₉BrO
Molecular Mass
201.06046
Exact Mass
199.98367691
Charge
0
InChI
InChI=1S/C8H9BrO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
JJFOBACUIRKUPN-UHFFFAOYSA-N
Canonic Smiles
BrCCOc1ccccc1
Isomeric Smiles
O(c1ccccc1)CCBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6655598
LogD (pH = 7.4)
2.6655598
Log P
2.6655598
Molar Refractivity
44.848
Polarizability
17.374302
Polar Surface Area
9.23
Rotatable Bonds
3
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