Molecule

ID:25978

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉BrCl₂O₂
Molecular Mass
360.03006
Exact Mass
357.91629689
Charge
0
InChI
InChI=1S/C14H9BrCl2O2/c15-10-4-5-14(9(6-10)7-18)19-8-11-12(16)2-1-3-13(11)17/h1-7H,8H2
InChIKey
PRKVQIVZOHHRTQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Br)ccc1OCc1c(Cl)cccc1Cl
Isomeric Smiles
c1(COc2c(cc(cc2)Br)C=O)c(Cl)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.229392
LogD (pH = 7.4)
5.229392
Log P
5.229392
Molar Refractivity
80.9502
Polarizability
30.964241
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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