Molecule

ID:39875

General Information
Structure
MolImage
Molecular Formula
C₆H₂Br₂Cl₃NO
Molecular Mass
370.25318
Exact Mass
366.75687073
Charge
0
InChI
InChI=1S/C6H2Br2Cl3NO/c7-2-1-3(12-5(2)8)4(13)6(9,10)11/h1,12H
InChIKey
UPHLPKSZCXJTRC-UHFFFAOYSA-N
Canonic Smiles
Brc1[nH]c(cc1Br)C(=O)C(Cl)(Cl)Cl
Isomeric Smiles
c1(C(=O)C(Cl)(Cl)Cl)[nH]c(c(c1)Br)Br
Calculated Properties
JChem
Acid pKa
9.792333
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5210083
LogD (pH = 7.4)
3.5194871
Log P
3.5210278
Molar Refractivity
61.6393
Polarizability
23.847189
Polar Surface Area
32.86
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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