Molecule

ID:55752

General Information
Structure
Molecular Formula
C₇H₉Br₂N
Molecular Mass
266.96106
Exact Mass
264.91017329
Charge
0
InChI
InChI=1S/C7H8BrN.BrH/c8-5-4-7-3-1-2-6-9-7;/h1-3,6H,4-5H2;1H
InChIKey
SAXTXIDZMKZQMV-UHFFFAOYSA-N
Canonic Smiles
BrCCc1ccccn1.Br
Isomeric Smiles
c1cnc(cc1)CCBr.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5780607
LogD (pH = 7.4)
1.8419883
Log P
1.8467953
Molar Refractivity
40.9287
Polarizability
15.732883
Polar Surface Area
12.89
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
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Molecule Details
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References
Bioactivity
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