Molecule

ID:68951

General Information
Structure
MolImage
Molecular Formula
C₈H₇BrO
Molecular Mass
199.04458
Exact Mass
197.96802684
Charge
0
InChI
InChI=1S/C8H7BrO/c1-6-2-3-7(5-10)8(9)4-6/h2-5H,1H3
InChIKey
MUZMDYCVUCMIDC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1Br)C
Isomeric Smiles
C(=O)c1c(cc(cc1)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9679222
LogD (pH = 7.4)
2.9679222
Log P
2.9679222
Molar Refractivity
45.306
Polarizability
16.79349
Polar Surface Area
17.07
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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