Molecule

ID:21107

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClF₂NO
Molecular Mass
235.6581864
Exact Mass
235.05754813
Charge
0
InChI
InChI=1S/C10H11F2NO.ClH/c11-7-1-2-9(12)10(5-7)14-8-3-4-13-6-8;/h1-2,5,8,13H,3-4,6H2;1H
InChIKey
FHBFBCOCLRAANZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)OC1CNCC1)F.Cl
Isomeric Smiles
c1(cc(ccc1F)F)OC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5428298
LogD (pH = 7.4)
-0.99178797
Log P
1.6847769
Molar Refractivity
48.245
Polarizability
18.571814
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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