Molecule

ID:107611

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1(3-5-15-7-11-17-12-8-15)2-4-6-16-9-13-18-14-10-16/h5-14H2
InChIKey
ZNXWKPCOJLBLFJ-UHFFFAOYSA-N
Canonic Smiles
O1CCN(CC1)CC#CC#CCN1CCOCC1
Isomeric Smiles
C1CN(CCO1)CC#CC#CCN1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.099297196
LogD (pH = 7.4)
0.70155585
Log P
0.7195011
Molar Refractivity
73.283
Polarizability
27.300852
Polar Surface Area
24.94
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
References
Bioactivity
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