Molecule

ID:65230

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₆N₂O₂
Molecular Mass
254.36844
Exact Mass
254.19942808
Charge
0
InChI
InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-6-4-14(5-7-16)8-11(9-14)10-15/h11H,4-10,15H2,1-3H3
InChIKey
ONEXXCWDECZYMU-UHFFFAOYSA-N
Canonic Smiles
NCC1CC2(C1)CCN(CC2)C(=O)OC(C)(C)C
Isomeric Smiles
C12(CC(C1)CN)CCN(CC2)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6942626
LogD (pH = 7.4)
-1.2826179
Log P
1.3300021
Molar Refractivity
71.7108
Polarizability
28.48516
Polar Surface Area
55.56
Rotatable Bonds
3
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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