Molecule

ID:10664

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁Br
Molecular Mass
247.13044
Exact Mass
246.00441235
Charge
0
InChI
InChI=1S/C13H11Br/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10H2
InChIKey
RTFPTPXBTIUISM-UHFFFAOYSA-N
Canonic Smiles
BrCc1cccc(c1)c1ccccc1
Isomeric Smiles
c1cccc(c1)c1cc(ccc1)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3932085
LogD (pH = 7.4)
4.3932085
Log P
4.3932085
Molar Refractivity
64.0446
Polarizability
25.652187
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
References
Bioactivity
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