Molecule

ID:92145

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Br
Molecular Mass
257.12526
Exact Mass
255.98876229
Charge
0
InChI
InChI=1S/C14H9Br/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
InChIKey
RSQXKVWKJVUZDG-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2ccccc2c2c1cccc2
Isomeric Smiles
Brc1cc2c(c3c1cccc3)cccc2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.720952
LogD (pH = 7.4)
4.720952
Log P
4.720952
Molar Refractivity
66.5812
Polarizability
27.99938
Polar Surface Area
0.0
Rotatable Bonds
0
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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