Molecule
ID:86330
General Information
Molecular Formula
C₇H₁₂BrCl
Molecular Mass
211.52718
Exact Mass
209.98109006
Charge
0
InChI
InChI=1S/C7H12BrCl/c1-7(8)5-3-2-4-6-9/h1-6H2
InChIKey
KNMGSYMNJLSGPQ-UHFFFAOYSA-N
Canonic Smiles
ClCCCCCC(=C)Br
Isomeric Smiles
BrC(=C)CCCCCCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4351954
LogD (pH = 7.4)
3.4351954
Log P
3.4351954
Molar Refractivity
46.7212
Polarizability
17.954632
Polar Surface Area
0.0
Rotatable Bonds
5
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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