Molecule

ID:122448

General Information
Structure
MolImage
Molecular Formula
C₁₇H₉BrO
Molecular Mass
309.15676
Exact Mass
307.98367691
Charge
0
InChI
InChI=1S/C17H9BrO/c18-15-9-8-11-10-4-1-2-5-12(10)17(19)14-7-3-6-13(15)16(11)14/h1-9H
InChIKey
WVECFEIAZAKUNF-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccccc2c2c3c1cccc3c(cc2)Br
Isomeric Smiles
c12c3c4c(C(=O)c1cccc2c(cc3)Br)cccc4
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.8648076
LogD (pH = 7.4)
4.8648076
Log P
4.8648076
Molar Refractivity
79.7847
Polarizability
32.759834
Polar Surface Area
17.07
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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