Molecule

ID:71435

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄N₂O₂
Molecular Mass
240.34186
Exact Mass
240.18377802
Charge
0
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-7-13(10-15)6-4-5-8-14-13/h14H,4-10H2,1-3H3
InChIKey
LIBZZJJMJPLVQW-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC2(C1)CCCCN2)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CC2(NCCCC2)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7474409
LogD (pH = 7.4)
-0.79823416
Log P
1.4482479
Molar Refractivity
67.0111
Polarizability
26.645468
Polar Surface Area
41.57
Rotatable Bonds
2
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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