Molecule

ID:21100

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂BrClFNO
Molecular Mass
296.5637832
Exact Mass
294.97748191
Charge
0
InChI
InChI=1S/C10H11BrFNO.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
ONCNDXJHRHMWNO-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)F)OC1CNCC1.Cl
Isomeric Smiles
c1(c(cc(cc1)Br)F)OC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9174497
LogD (pH = 7.4)
-0.3809229
Log P
2.3108275
Molar Refractivity
55.6514
Polarizability
21.732985
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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