Molecule

ID:86081

General Information
Structure
MolImage
Molecular Formula
C₉H₈BrClO₂
Molecular Mass
263.51562
Exact Mass
261.93961918
Charge
0
InChI
InChI=1S/C9H8BrClO2/c10-8-1-6(3-11)9-7(2-8)4-12-5-13-9/h1-2H,3-5H2
InChIKey
MJTVUEYQWXWQKF-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(Br)cc2c1OCOC2
Isomeric Smiles
O1c2c(cc(cc2CCl)Br)COC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.985922
LogD (pH = 7.4)
2.985922
Log P
2.985922
Molar Refractivity
54.4185
Polarizability
21.266222
Polar Surface Area
18.46
Rotatable Bonds
1
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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