Molecule

ID:47375

General Information
Structure
Molecular Formula
C₁₁H₁₄ClF₂NO
Molecular Mass
249.6847664
Exact Mass
249.07319819
Charge
0
InChI
InChI=1S/C11H13F2NO.ClH/c12-9-3-8(4-10(13)5-9)7-15-11-1-2-14-6-11;/h3-5,11,14H,1-2,6-7H2;1H
InChIKey
KGYFKOIMJZZUGS-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(COC2CNCC2)cc(c1)F.Cl
Isomeric Smiles
N1CCC(OCc2cc(cc(c2)F)F)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5159328
LogD (pH = 7.4)
-1.1345936
Log P
1.7182249
Molar Refractivity
53.3489
Polarizability
20.402916
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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