Molecule

ID:82051

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁BrO₂
Molecular Mass
315.16134
Exact Mass
313.99424159
Charge
0
InChI
InChI=1S/C16H11BrO2/c17-16(10-11-6-2-1-3-7-11)14(18)12-8-4-5-9-13(12)15(16)19/h1-9H,10H2
InChIKey
BQVFRYBMHFZBCL-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccccc2C(=O)C1(Br)Cc1ccccc1
Isomeric Smiles
O=C1C(C(=O)c2ccccc12)(Cc1ccccc1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.118136
LogD (pH = 7.4)
4.118136
Log P
4.118136
Molar Refractivity
77.269
Polarizability
29.307768
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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