Molecule

ID:46491

General Information
Structure
Molecular Formula
C₁₄H₁₉ClF₃NO
Molecular Mass
309.7549696
Exact Mass
309.11072657
Charge
0
InChI
InChI=1S/C14H18F3NO.ClH/c15-14(16,17)12-3-1-2-4-13(12)19-10-7-11-5-8-18-9-6-11;/h1-4,11,18H,5-10H2;1H
InChIKey
KFVSSQPPDGXETG-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccccc1OCCC1CCNCC1)(F)F.Cl
Isomeric Smiles
C(c1c(OCCC2CCNCC2)cccc1)(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.06718884
LogD (pH = 7.4)
0.38920113
Log P
3.164397
Molar Refractivity
68.1473
Polarizability
25.721247
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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