Molecule

ID:95652

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀BrClFN
Molecular Mass
302.5699032
Exact Mass
300.96691723
Charge
0
InChI
InChI=1S/C12H10ClFN.BrH/c13-11-6-4-5-10(12(11)14)9-15-7-2-1-3-8-15;/h1-8H,9H2;1H/q+1;/p-1
InChIKey
DLLHHJXFKARURR-UHFFFAOYSA-M
Canonic Smiles
Fc1c(cccc1Cl)C[n+]1ccccc1.[Br-]
Isomeric Smiles
[n+]1(ccccc1)Cc1c(c(ccc1)Cl)F.[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-0.71657526
LogD (pH = 7.4)
-0.71657526
Log P
-0.71657526
Molar Refractivity
59.6903
Polarizability
22.574736
Polar Surface Area
3.88
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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