Molecule

ID:90912

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Br
Molecular Mass
257.12526
Exact Mass
255.98876229
Charge
0
InChI
InChI=1S/C14H9Br/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H
InChIKey
SQTPFYJEKHTINP-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)ccc1c2cccc1
Isomeric Smiles
Brc1ccc2c(c1)ccc1ccccc21
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
27.994253
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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