Molecule

ID:51248

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈BrNO₃
Molecular Mass
270.07942
Exact Mass
268.96875512
Charge
0
InChI
InChI=1S/C10H8BrNO3/c1-5-12-8-4-6(11)3-7(9(8)15-5)10(13)14-2/h3-4H,1-2H3
InChIKey
MVPHFLJLVCCXGG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(Br)cc2c1oc(n2)C
Isomeric Smiles
c1(c2c(nc(o2)C)cc(c1)Br)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2151592
LogD (pH = 7.4)
2.2151597
Log P
2.2151597
Molar Refractivity
56.8119
Polarizability
22.889446
Polar Surface Area
52.33
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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