Molecule

ID:70845

General Information
Structure
Molecular Formula
C₁₂H₂₄N₂O₂
Molecular Mass
228.33116
Exact Mass
228.18377802
Charge
0
InChI
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-10-6-4-9(8-13)5-7-10/h9-10H,4-8,13H2,1-3H3,(H,14,15)/t9-,10-
InChIKey
NVQFOBONHIXDOC-MGCOHNPYSA-N
Canonic Smiles
NC[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N[C@H]1CC[C@@H](CC1)CN)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.46921
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.5369669
LogD (pH = 7.4)
-1.1260233
Log P
1.4873215
Molar Refractivity
63.8638
Polarizability
25.531202
Polar Surface Area
64.35
Rotatable Bonds
4
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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