Molecule

ID:96564

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄F₃N₃O
Molecular Mass
273.2542696
Exact Mass
273.10889674
Charge
0
InChI
InChI=1S/C12H14F3N3O/c1-9(19)17-5-7-18(8-6-17)11-10(12(13,14)15)3-2-4-16-11/h2-4H,5-8H2,1H3
InChIKey
QQHMRFLQCBYRPL-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
Isomeric Smiles
N1(c2ncccc2C(F)(F)F)CCN(CC1)C(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1361381
LogD (pH = 7.4)
1.4050189
Log P
1.4099371
Molar Refractivity
64.9382
Polarizability
23.32507
Polar Surface Area
36.44
Rotatable Bonds
2
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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