Molecule

ID:77437

General Information
Structure
MolImage
Molecular Formula
C₇H₇Br
Molecular Mass
171.03448
Exact Mass
169.97311222
Charge
0
InChI
InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKey
ZBTMRBYMKUEVEU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Br
Isomeric Smiles
Brc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2554197
LogD (pH = 7.4)
3.2554197
Log P
3.2554197
Molar Refractivity
38.722
Polarizability
14.834656
Polar Surface Area
0.0
Rotatable Bonds
0
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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