Molecule

ID:24758

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O₃
Molecular Mass
266.33608
Exact Mass
266.16304257
Charge
0
InChI
InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3
InChIKey
UHWVSEOVJBQKBE-UHFFFAOYSA-N
Canonic Smiles
COc1c(ccc(c1OC)OC)CN1CCNCC1
Isomeric Smiles
c1(c(c(CN2CCNCC2)ccc1OC)OC)OC
Calculated Properties
Provided by Enamine
CLogP
1.18
H Donor
1
Polar Surface Area
42.96
Rotatable Bonds
5
JChem
Polar Surface Area
42.96
H Donor
1
H Acceptors
5
Rotatable Bonds
5
Lipinski's Rule of Five
true
Log P
0.91
LogD (pH = 5.5)
-2.21
LogD (pH = 7.4)
-0.90
Molar Refractivity
74.75
Polarizability
29.35
LOG S
-0.87
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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