Molecule

ID:92041

General Information
Structure
Molecular Formula
C₁₁H₇BrClN
Molecular Mass
268.53698
Exact Mass
266.94503891
Charge
0
InChI
InChI=1S/C11H7BrClN/c12-11-7-14-6-5-10(11)8-1-3-9(13)4-2-8/h1-7H
InChIKey
JERVDTADAZZTBY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1ccncc1Br
Isomeric Smiles
n1cc(c(cc1)c1ccc(cc1)Cl)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7695706
LogD (pH = 7.4)
3.7755196
Log P
3.7755961
Molar Refractivity
61.4649
Polarizability
24.938543
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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