Molecule
ID:86350
General Information
Molecular Formula
C₉H₁₆BrCl
Molecular Mass
239.58034
Exact Mass
238.01239019
Charge
0
InChI
InChI=1S/C9H16BrCl/c1-9(10)7-5-3-2-4-6-8-11/h1-8H2
InChIKey
DAHDYQUKJQTRBV-UHFFFAOYSA-N
Canonic Smiles
ClCCCCCCCC(=C)Br
Isomeric Smiles
BrC(=C)CCCCCCCCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3243327
LogD (pH = 7.4)
4.3243327
Log P
4.3243327
Molar Refractivity
55.9232
Polarizability
21.58265
Polar Surface Area
0.0
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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