Molecule

ID:38298

General Information
Structure
MolImage
Molecular Formula
C₈H₇BrClFO
Molecular Mass
253.4959832
Exact Mass
251.93528274
Charge
0
InChI
InChI=1S/C8H7BrClFO/c1-12-8-6(11)3-2-5(4-9)7(8)10/h2-3H,4H2,1H3
InChIKey
DNWAPSAQJAZPMI-UHFFFAOYSA-N
Canonic Smiles
COc1c(F)ccc(c1Cl)CBr
Isomeric Smiles
C(c1c(c(c(cc1)F)OC)Cl)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3350585
LogD (pH = 7.4)
3.3350585
Log P
3.3350585
Molar Refractivity
50.3928
Polarizability
19.227985
Polar Surface Area
9.23
Rotatable Bonds
2
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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