Molecule

ID:92908

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈BrN₃O₃
Molecular Mass
298.09282
Exact Mass
296.97490313
Charge
0
InChI
InChI=1S/C10H8BrN3O3/c1-2-16-10(15)9-13-8(14-17-9)6-3-7(11)5-12-4-6/h3-5H,2H2,1H3
InChIKey
LSHJXSGSPMZMFQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1onc(n1)c1cncc(c1)Br
Isomeric Smiles
n1c(onc1c1cc(cnc1)Br)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.0864708
LogD (pH = 7.4)
2.0865948
Log P
2.0865965
Molar Refractivity
73.8022
Polarizability
24.135464
Polar Surface Area
78.11
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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