Molecule

ID:88740

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉BrClN
Molecular Mass
270.55286
Exact Mass
268.96068897
Charge
0
InChI
InChI=1S/C11H9BrClN/c1-6-5-10(13)8-3-4-9(12)7(2)11(8)14-6/h3-5H,1-2H3
InChIKey
JJOXAYSGWSYGNB-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Cl)c2c(n1)c(C)c(cc2)Br
Isomeric Smiles
n1c(cc(c2ccc(c(c12)C)Br)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1456904
LogD (pH = 7.4)
4.148454
Log P
4.1484895
Molar Refractivity
62.0396
Polarizability
25.051092
Polar Surface Area
12.89
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
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Molecule Details
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References
Bioactivity
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