Molecule

ID:73830

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BrCl
Molecular Mass
245.5434
Exact Mass
243.96544
Charge
0
InChI
InChI=1S/C10H10BrCl/c1-7-3-4-9(5-8(2)11)6-10(7)12/h3-4,6H,2,5H2,1H3
InChIKey
NXFQOLKYBMTGQN-UHFFFAOYSA-N
Canonic Smiles
BrC(=C)Cc1ccc(c(c1)Cl)C
Isomeric Smiles
Clc1c(ccc(c1)CC(=C)Br)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4348464
LogD (pH = 7.4)
4.4348464
Log P
4.4348464
Molar Refractivity
57.8795
Polarizability
21.911417
Polar Surface Area
0.0
Rotatable Bonds
2
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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