Molecule

ID:19089

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O₂
Molecular Mass
250.33668
Exact Mass
250.16812795
Charge
0
InChI
InChI=1S/C14H22N2O2/c1-2-18-13-5-3-12(4-6-13)14(11-15)16-7-9-17-10-8-16/h3-6,14H,2,7-11,15H2,1H3
InChIKey
DYMOSECQTNSXEE-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)OCC)N1CCOCC1
Isomeric Smiles
N1(C(c2ccc(cc2)OCC)CN)CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.7881942
LogD (pH = 7.4)
-0.4109163
Log P
1.1580621
Molar Refractivity
72.507
Polarizability
28.750868
Polar Surface Area
47.72
Rotatable Bonds
5
Lipinski's Rule of Five
true
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
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References
Bioactivity
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