Molecule

ID:35007

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆N₂O₂
Molecular Mass
242.35774
Exact Mass
242.19942808
Charge
0
InChI
InChI=1S/C13H26N2O2/c1-11(2)17-10-4-7-14-13-5-8-15(9-6-13)12(3)16/h11,13-14H,4-10H2,1-3H3
InChIKey
QJBGNPSVQUTSKJ-UHFFFAOYSA-N
Canonic Smiles
CC(OCCCNC1CCN(CC1)C(=O)C)C
Isomeric Smiles
N1(C(=O)C)CCC(CC1)NCCCOC(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.3855
LogD (pH = 7.4)
-2.9596603
Log P
-0.1528108
Molar Refractivity
69.492
Polarizability
27.371313
Polar Surface Area
41.57
Rotatable Bonds
6
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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