Molecule

ID:95239

General Information
Structure
Molecular Formula
C₁₁H₁₂ClF₃N₄O
Molecular Mass
308.6873896
Exact Mass
308.06517336
Charge
0
InChI
InChI=1S/C11H12ClF3N4O/c12-7-9(20)18-3-5-19(6-4-18)10-16-2-1-8(17-10)11(13,14)15/h1-2H,3-7H2
InChIKey
UMNFUFUVDKJPHZ-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCN(CC1)c1nccc(n1)C(F)(F)F
Isomeric Smiles
n1c(nccc1C(F)(F)F)N1CCN(CC1)C(=O)CCl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7111459
LogD (pH = 7.4)
1.7116159
Log P
1.7116219
Molar Refractivity
67.7731
Polarizability
24.495188
Polar Surface Area
49.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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