Molecule

ID:46726

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄BrClFNO
Molecular Mass
310.5903632
Exact Mass
308.99313197
Charge
0
InChI
InChI=1S/C11H13BrFNO.ClH/c12-10-5-9(13)1-2-11(10)15-7-8-3-4-14-6-8;/h1-2,5,8,14H,3-4,6-7H2;1H
InChIKey
LENXMZIULWCLRS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Br)OCC1CNCC1.Cl
Isomeric Smiles
c1(cc(ccc1OCC1CNCC1)F)Br.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.811197
LogD (pH = 7.4)
-0.652587
Log P
2.4283762
Molar Refractivity
60.635
Polarizability
23.548264
Polar Surface Area
21.26
Rotatable Bonds
3
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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