Molecule

ID:73868

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)8-9(11)14-6(12)4-3-5-7(14)13-8/h3-5H,2H2,1H3
InChIKey
WQUIGFCTOQNRJA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc2n(c1Br)c(Cl)ccc2
Isomeric Smiles
n12c(c(C(=O)OCC)nc1cccc2Cl)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0931306
LogD (pH = 7.4)
2.0938392
Log P
2.0938482
Molar Refractivity
64.549
Polarizability
24.533396
Polar Surface Area
43.6
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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