Molecule

ID:67787

General Information
Structure
MolImage
Molecular Formula
C₇H₆BrNO₂
Molecular Mass
216.03204
Exact Mass
214.95819044
Charge
0
InChI
InChI=1S/C7H6BrNO2/c1-11-7(10)5-3-2-4-6(8)9-5/h2-4H,1H3
InChIKey
SGNCOKUHMXLGAH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(n1)Br
Isomeric Smiles
c1(cccc(n1)Br)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9191753
LogD (pH = 7.4)
1.9191753
Log P
1.9191753
Molar Refractivity
44.0194
Polarizability
16.884928
Polar Surface Area
39.19
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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