Molecule

ID:113404

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈BrNO₂
Molecular Mass
254.08002
Exact Mass
252.9738405
Charge
0
InChI
InChI=1S/C10H8BrNO2/c1-5-3-6-8(7(11)4-5)12(2)10(14)9(6)13/h3-4H,1-2H3
InChIKey
KAGORGSQXLSCBW-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Br)c2c(c1)C(=O)C(=O)N2C
Isomeric Smiles
N1(C(=O)C(=O)c2c1c(cc(c2)C)Br)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0977836
LogD (pH = 7.4)
2.0977836
Log P
2.0977836
Molar Refractivity
56.2549
Polarizability
21.04369
Polar Surface Area
37.38
Rotatable Bonds
0
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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