Molecule

ID:9452

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁Br
Molecular Mass
247.13044
Exact Mass
246.00441235
Charge
0
InChI
InChI=1S/C13H11Br/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
DLCYFIIONMLNAJ-UHFFFAOYSA-N
Canonic Smiles
Brc1ccccc1Cc1ccccc1
Isomeric Smiles
C(c1ccccc1)c1c(Br)cccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.8337927
LogD (pH = 7.4)
4.8337927
Log P
4.8337927
Molar Refractivity
63.418
Polarizability
24.346483
Polar Surface Area
0.0
Rotatable Bonds
2
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
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References
Bioactivity
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