Molecule

ID:65222

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂N₂O₂
Molecular Mass
226.31528
Exact Mass
226.16812795
Charge
0
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-8-4-5-12(9-14)6-7-13-12/h13H,4-9H2,1-3H3
InChIKey
VOOWCGDOUHRBEJ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC2(C1)CCN2)OC(C)(C)C
Isomeric Smiles
C12(CN(CCC1)C(=O)OC(C)(C)C)NCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2175329
LogD (pH = 7.4)
-1.5490221
Log P
1.0036793
Molar Refractivity
62.4101
Polarizability
24.80672
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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