Molecule

ID:73782

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BrCl
Molecular Mass
245.5434
Exact Mass
243.96544
Charge
0
InChI
InChI=1S/C10H10BrCl/c1-8(11)5-6-9-3-2-4-10(12)7-9/h2-4,7H,1,5-6H2
InChIKey
VHHKXDWOJGCCFA-UHFFFAOYSA-N
Canonic Smiles
BrC(=C)CCc1cccc(c1)Cl
Isomeric Smiles
BrC(=C)CCc1cccc(c1)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3659935
LogD (pH = 7.4)
4.3659935
Log P
4.3659935
Molar Refractivity
57.4393
Polarizability
21.91324
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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