Molecule

ID:92043

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀BrNO
Molecular Mass
264.1179
Exact Mass
262.99457595
Charge
0
InChI
InChI=1S/C12H10BrNO/c1-15-10-4-2-3-9(7-10)11-5-6-14-8-12(11)13/h2-8H,1H3
InChIKey
VGWXEMORTNJIIG-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1ccncc1Br
Isomeric Smiles
n1cc(c(cc1)c1cc(ccc1)OC)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.008864
LogD (pH = 7.4)
3.0138166
Log P
3.01388
Molar Refractivity
63.1233
Polarizability
25.57031
Polar Surface Area
22.12
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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