Molecule

ID:95232

General Information
Structure
Molecular Formula
C₁₂H₁₅F₃N₂O
Molecular Mass
260.2555096
Exact Mass
260.11364777
Charge
0
InChI
InChI=1S/C12H15F3N2O/c1-4-17(5-2)11(18)9-6-7-10(12(13,14)15)16-8(9)3/h6-7H,4-5H2,1-3H3
InChIKey
DXPPJFACLGMSCH-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)c1ccc(nc1C)C(F)(F)F)CC
Isomeric Smiles
n1c(c(ccc1C(F)(F)F)C(=O)N(CC)CC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.16224
LogD (pH = 7.4)
2.1622505
Log P
2.1622508
Molar Refractivity
62.4633
Polarizability
22.580694
Polar Surface Area
33.2
Rotatable Bonds
4
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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