Molecule

ID:66851

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅BrN₂O₂
Molecular Mass
371.2279
Exact Mass
370.03168973
Charge
0
InChI
InChI=1S/C18H15BrN2O2/c19-16-11-20-18(23-13-15-9-5-2-6-10-15)21-17(16)22-12-14-7-3-1-4-8-14/h1-11H,12-13H2
InChIKey
QMPWETJGPVPWGU-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(nc1OCc1ccccc1)OCc1ccccc1
Isomeric Smiles
c1(nc(c(cn1)Br)OCc1ccccc1)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.2253084
LogD (pH = 7.4)
5.225335
Log P
5.225335
Molar Refractivity
92.7562
Polarizability
35.503063
Polar Surface Area
44.24
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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