Molecule

ID:51752

General Information
Structure
MolImage
Molecular Formula
C₈H₇BrClNO₂
Molecular Mass
264.50368
Exact Mass
262.93486815
Charge
0
InChI
InChI=1S/C8H7BrClNO2/c1-2-13-8(12)5-3-7(10)11-4-6(5)9/h3-4H,2H2,1H3
InChIKey
YVGLNIDGZXOBSZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(Cl)ncc1Br
Isomeric Smiles
c1(C(=O)OCC)c(cnc(c1)Cl)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7088327
LogD (pH = 7.4)
2.7088327
Log P
2.7088327
Molar Refractivity
54.1639
Polarizability
20.678663
Polar Surface Area
39.19
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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