Molecule

ID:47165

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃BrClNO
Molecular Mass
278.57332
Exact Mass
276.98690372
Charge
0
InChI
InChI=1S/C10H12BrNO.ClH/c11-9-3-1-2-4-10(9)13-8-5-6-12-7-8;/h1-4,8,12H,5-7H2;1H
InChIKey
UKWUWIUFWPFAGR-UHFFFAOYSA-N
Canonic Smiles
Brc1ccccc1OC1CNCC1.Cl
Isomeric Smiles
c1(OC2CCNC2)c(Br)cccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0612991
LogD (pH = 7.4)
-0.550849
Log P
2.1681256
Molar Refractivity
55.435
Polarizability
21.933477
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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