Molecule

ID:47170

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Br₂ClNO
Molecular Mass
357.46938
Exact Mass
354.89741569
Charge
0
InChI
InChI=1S/C10H11Br2NO.ClH/c11-7-1-2-10(9(12)5-7)14-8-3-4-13-6-8;/h1-2,5,8,13H,3-4,6H2;1H
InChIKey
PSYLVQBNSIINJK-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)Br)OC1CNCC1.Cl
Isomeric Smiles
c1(c(cc(cc1)Br)Br)OC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.29241356
LogD (pH = 7.4)
0.22114109
Log P
2.9368782
Molar Refractivity
63.0578
Polarizability
24.933325
Polar Surface Area
21.26
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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