Molecule

ID:65038

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClF₃N₂
Molecular Mass
238.6373096
Exact Mass
238.04846067
Charge
0
InChI
InChI=1S/C9H9F3N2.ClH/c10-9(11,12)7-3-6-4-13-2-1-8(6)14-5-7;/h3,5,13H,1-2,4H2;1H
InChIKey
ZQQMJDLXEVJTAN-UHFFFAOYSA-N
Canonic Smiles
FC(c1cnc2c(c1)CNCC2)(F)F.Cl
Isomeric Smiles
c12cc(cnc1CCNC2)C(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6422161
LogD (pH = 7.4)
-0.026047176
Log P
1.2614826
Molar Refractivity
45.8546
Polarizability
16.834597
Polar Surface Area
24.92
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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