Molecule

ID:90257

General Information
Structure
MolImage
Molecular Formula
C₇H₆BrNO₂
Molecular Mass
216.03204
Exact Mass
214.95819044
Charge
0
InChI
InChI=1S/C7H6BrNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2
InChIKey
LNWXALCHPJANMJ-UHFFFAOYSA-N
Canonic Smiles
BrCc1cccc(c1)[N+](=O)[O-]
Isomeric Smiles
BrCc1cc(ccc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6859674
LogD (pH = 7.4)
2.6859674
Log P
2.6859674
Molar Refractivity
45.2289
Polarizability
16.891645
Polar Surface Area
43.14
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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