Molecule

ID:48388

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆ClF₃N₂
Molecular Mass
292.7277496
Exact Mass
292.09541086
Charge
0
InChI
InChI=1S/C13H16ClF3N2/c1-2-10-5-3-4-6-19(10)12-11(14)7-9(8-18-12)13(15,16)17/h7-8,10H,2-6H2,1H3
InChIKey
OXZMEEDJAFVTIF-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1c1ncc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1(N2C(CC)CCCC2)ncc(C(F)(F)F)cc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.7251344
LogD (pH = 7.4)
4.7293773
Log P
4.7294316
Molar Refractivity
70.5065
Polarizability
25.776733
Polar Surface Area
16.13
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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