Molecule

ID:9968

General Information
Structure
MolImage
Molecular Formula
C₈H₇Br
Molecular Mass
183.04518
Exact Mass
181.97311222
Charge
0
InChI
InChI=1S/C8H7Br/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InChIKey
SSZOCHFYWWVSAI-UHFFFAOYSA-N
Canonic Smiles
C=Cc1ccccc1Br
Isomeric Smiles
c1ccc(c(c1)C=C)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4787004
LogD (pH = 7.4)
3.4787004
Log P
3.4787004
Molar Refractivity
43.3671
Polarizability
16.54746
Polar Surface Area
0.0
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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