Molecule

ID:46791

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClF₂NO
Molecular Mass
291.7645064
Exact Mass
291.12014839
Charge
0
InChI
InChI=1S/C14H19F2NO.ClH/c15-13-2-1-3-14(16)12(13)10-18-9-6-11-4-7-17-8-5-11;/h1-3,11,17H,4-10H2;1H
InChIKey
KQFRJFANDIRFFT-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1COCCC1CCNCC1)F.Cl
Isomeric Smiles
c1(c(F)cccc1F)COCCC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6261855
LogD (pH = 7.4)
-0.1697956
Log P
2.6054003
Molar Refractivity
67.7103
Polarizability
25.886736
Polar Surface Area
21.26
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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