Molecule

ID:11322

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉F₃N₂O₅
Molecular Mass
364.3169696
Exact Mass
364.12460638
Charge
0
InChI
InChI=1S/C13H18N2O3.C2HF3O2/c1-17-10-4-3-5-11(18-2)12(10)13(16)15-8-6-14-7-9-15;3-2(4,5)1(6)7/h3-5,14H,6-9H2,1-2H3;(H,6,7)
InChIKey
ALIQIGVSALQHTQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(F)(F)F.COc1cccc(c1C(=O)N1CCNCC1)OC
Isomeric Smiles
C(=O)(c1c(OC)cccc1OC)N1CCNCC1.O=C(O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8540422
LogD (pH = 7.4)
-0.1401523
Log P
0.41996735
Molar Refractivity
68.6116
Polarizability
26.37697
Polar Surface Area
50.8
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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