Molecule

ID:43567

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈BrClN₂O₂
Molecular Mass
303.53972
Exact Mass
301.94576719
Charge
0
InChI
InChI=1S/C10H8BrClN2O2/c1-2-16-10(15)8-5-14-4-6(12)3-7(11)9(14)13-8/h3-5H,2H2,1H3
InChIKey
FOHQDZNEJCDSSN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cn2c(n1)c(Br)cc(c2)Cl
Isomeric Smiles
n1c2n(cc1C(=O)OCC)cc(cc2Br)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.676606
LogD (pH = 7.4)
2.6784582
Log P
2.678482
Molar Refractivity
64.7659
Polarizability
24.474855
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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