Molecule

ID:65243

General Information
Structure
Molecular Formula
C₁₃H₂₄N₂O₂
Molecular Mass
240.34186
Exact Mass
240.18377802
Charge
0
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-5-4-6-13(15)7-8-14-10-13/h14H,4-10H2,1-3H3
InChIKey
HQYFHYDDVSZPPP-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCC21CCNC2)OC(C)(C)C
Isomeric Smiles
C12(CCNC1)CCCCN2C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7868896
LogD (pH = 7.4)
-1.4380873
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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