Molecule

ID:77304

General Information
Structure
MolImage
Molecular Formula
C₈H₇BrO
Molecular Mass
199.04458
Exact Mass
197.96802684
Charge
0
InChI
InChI=1S/C8H7BrO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H,5H2
InChIKey
OEPGAYXSRGROSQ-UHFFFAOYSA-N
Canonic Smiles
BrCc1cccc(c1)C=O
Isomeric Smiles
BrCc1cc(ccc1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4584856
LogD (pH = 7.4)
2.4584856
Log P
2.4584856
Molar Refractivity
45.4924
Polarizability
16.768948
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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