Molecule

ID:88739

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉BrClN
Molecular Mass
270.55286
Exact Mass
268.96068897
Charge
0
InChI
InChI=1S/C11H9BrClN/c1-6-3-8(12)5-9-10(13)4-7(2)14-11(6)9/h3-5H,1-2H3
InChIKey
YJTIVPXNBMXIJP-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(C)c2c(c1)c(Cl)cc(n2)C
Isomeric Smiles
n1c(cc(c2cc(cc(c12)C)Br)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.146468
LogD (pH = 7.4)
4.1484637
Log P
4.1484895
Molar Refractivity
62.0396
Polarizability
25.050282
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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