Molecule

ID:94201

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅F₃N₂O
Molecular Mass
260.2555096
Exact Mass
260.11364777
Charge
0
InChI
InChI=1S/C12H15F3N2O/c13-12(14,15)18-11-4-2-1-3-10(11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2
InChIKey
AWMKJBNANKOBIA-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccccc1CN1CCNCC1)(F)F
Isomeric Smiles
N1(CCNCC1)Cc1c(cccc1)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.308029
LogD (pH = 7.4)
1.0050108
Log P
2.809826
Molar Refractivity
58.4264
Polarizability
23.626614
Polar Surface Area
24.5
Rotatable Bonds
4
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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