Molecule

ID:91771

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉BrN₂O₂
Molecular Mass
269.09466
Exact Mass
267.98473954
Charge
0
InChI
InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8/h3-6H,2H2,1H3
InChIKey
MWDCKDQQAFZDOH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cn2c(n1)ccc(c2)Br
Isomeric Smiles
n12cc(Br)ccc1nc(c2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0633023
LogD (pH = 7.4)
2.0742953
Log P
2.0744374
Molar Refractivity
59.9611
Polarizability
22.478155
Polar Surface Area
43.6
Rotatable Bonds
3
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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