Molecule

ID:70412

General Information
Structure
MolImage
Molecular Formula
C₇H₇BrO
Molecular Mass
187.03388
Exact Mass
185.96802684
Charge
0
InChI
InChI=1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey
QJPJQTDYNZXKQF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Br
Isomeric Smiles
c1(ccc(cc1)OC)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5843272
LogD (pH = 7.4)
2.5843272
Log P
2.5843272
Molar Refractivity
40.144
Polarizability
15.651675
Polar Surface Area
9.23
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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