Molecule

ID:111506

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₅Br
Molecular Mass
323.2264
Exact Mass
322.03571248
Charge
0
InChI
InChI=1S/C19H15Br/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey
NZHXEWZGTQSYJM-UHFFFAOYSA-N
Canonic Smiles
BrC(c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
BrC(c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.1784654
LogD (pH = 7.4)
6.1784654
Log P
6.1784654
Molar Refractivity
89.346
Polarizability
33.900356
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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