Molecule

ID:69309

General Information
Structure
MolImage
Molecular Formula
C₆H₇Br₂N
Molecular Mass
252.93448
Exact Mass
250.89452323
Charge
0
InChI
InChI=1S/C6H6BrN.BrH/c7-5-6-1-3-8-4-2-6;/h1-4H,5H2;1H
InChIKey
VAJUUDUWDNCECT-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccncc1.Br
Isomeric Smiles
c1cc(ccn1)CBr.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4164495
LogD (pH = 7.4)
1.5266521
Log P
1.5283108
Molar Refractivity
36.7515
Polarizability
13.993238
Polar Surface Area
12.89
Rotatable Bonds
1
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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