Molecule

ID:40988

General Information
Structure
MolImage
Molecular Formula
C₈H₇BrCl₂O
Molecular Mass
269.95058
Exact Mass
267.9057322
Charge
0
InChI
InChI=1S/C8H7BrCl2O/c9-3-4-12-8-2-1-6(10)5-7(8)11/h1-2,5H,3-4H2
InChIKey
OEYZGSRLAGSENP-UHFFFAOYSA-N
Canonic Smiles
BrCCOc1ccc(cc1Cl)Cl
Isomeric Smiles
c1(cc(ccc1OCCBr)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8736491
LogD (pH = 7.4)
3.8736491
Log P
3.8736491
Molar Refractivity
54.4576
Polarizability
21.3395
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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