Molecule

ID:116483

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂BrN
Molecular Mass
286.16648
Exact Mass
285.01531139
Charge
0
InChI
InChI=1S/C15H12BrN/c16-14-7-5-12(6-8-14)11-17-10-9-13-3-1-2-4-15(13)17/h1-10H,11H2
InChIKey
MELPKLYITUXQJI-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)Cn1ccc2c1cccc2
Isomeric Smiles
n1(ccc2c1cccc2)Cc1ccc(Br)cc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.7889094
LogD (pH = 7.4)
4.7889094
Log P
4.7889094
Molar Refractivity
74.2766
Polarizability
29.52604
Polar Surface Area
4.93
Rotatable Bonds
2
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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