Molecule

ID:11592

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆F₄N₂O₂
Molecular Mass
308.2719528
Exact Mass
308.11479064
Charge
0
InChI
InChI=1S/C11H15FN2.C2HF3O2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14;3-2(4,5)1(6)7/h1-4,13H,5-9H2;(H,6,7)
InChIKey
OAQNDGKTCWLSBU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(F)(F)F.Fc1ccc(cc1)CN1CCNCC1
Isomeric Smiles
C1NCCN(C1)Cc1ccc(cc1)F.O=C(O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6211846
LogD (pH = 7.4)
-0.29938278
Log P
1.5214162
Molar Refractivity
55.5725
Polarizability
21.50417
Polar Surface Area
15.27
Rotatable Bonds
3
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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