Molecule

ID:25974

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁BrO₂
Molecular Mass
291.13994
Exact Mass
289.99424159
Charge
0
InChI
InChI=1S/C14H11BrO2/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
LXYOEDGDQBDZFK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Br)ccc1OCc1ccccc1
Isomeric Smiles
c1(c(OCc2ccccc2)ccc(c1)Br)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0213027
LogD (pH = 7.4)
4.0213027
Log P
4.0213027
Molar Refractivity
71.3406
Polarizability
27.05898
Polar Surface Area
26.3
Rotatable Bonds
4
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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