Molecule

ID:65223

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)14-8-5-12(6-9-14)4-7-13-12/h13H,4-9H2,1-3H3
InChIKey
JXQPSCYGAWSTQP-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC2(CC1)CCN2)OC(C)(C)C
Isomeric Smiles
C12(CCN1)CCN(CC2)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6909492
LogD (pH = 7.4)
-2.4212117
Log P
0.5462763
Molar Refractivity
62.6309
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
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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