Molecule

ID:47175

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂BrCl₂NO
Molecular Mass
313.01838
Exact Mass
310.94793137
Charge
0
InChI
InChI=1S/C10H11BrClNO.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
JGQJMKPKCMTDNA-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)Cl)OC1CNCC1.Cl
Isomeric Smiles
c1(c(cc(cc1)Br)Cl)OC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.45691803
LogD (pH = 7.4)
0.061347216
Log P
2.7721703
Molar Refractivity
60.2398
Polarizability
23.900347
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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