Molecule

ID:11145

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃F₃N₂O₅
Molecular Mass
380.3594296
Exact Mass
380.15590651
Charge
0
InChI
InChI=1S/C14H22N2O3.C2HF3O2/c1-17-12-9-14(19-3)13(18-2)8-11(12)10-16-6-4-15-5-7-16;3-2(4,5)1(6)7/h8-9,15H,4-7,10H2,1-3H3;(H,6,7)
InChIKey
UKRMUCSCKLHBMR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(F)(F)F.COc1cc(OC)c(cc1CN1CCNCC1)OC
Isomeric Smiles
c1(cc(c(cc1OC)OC)OC)CN1CCNCC1.O=C(C(F)(F)F)O
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.2158144
LogD (pH = 7.4)
-0.90142834
Log P
0.90570045
Molar Refractivity
74.7457
Polarizability
29.40957
Polar Surface Area
42.96
Rotatable Bonds
6
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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