Molecule

ID:19090

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O₂
Molecular Mass
250.33668
Exact Mass
250.16812795
Charge
0
InChI
InChI=1S/C14H22N2O2/c1-17-13-6-5-11(9-14(13)18-2)12(10-15)16-7-3-4-8-16/h5-6,9,12H,3-4,7-8,10,15H2,1-2H3
InChIKey
WQYZFTUTVPPVGV-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(c(c1)OC)OC)N1CCCC1
Isomeric Smiles
N1(C(c2cc(c(cc2)OC)OC)CN)CCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.5396092
LogD (pH = 7.4)
-0.43151218
Log P
1.2678808
Molar Refractivity
72.6881
Polarizability
28.735802
Polar Surface Area
47.72
Rotatable Bonds
5
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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