Molecule

ID:64046

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O₂
Molecular Mass
200.278
Exact Mass
200.15247789
Charge
0
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-5-8(7-12)11-4/h8,11H,5-7H2,1-4H3
InChIKey
OKUCEQDKBKYEJY-UHFFFAOYSA-N
Canonic Smiles
CNC1CCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CC(NC)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5150814
LogD (pH = 7.4)
-1.5181109
Log P
0.67411304
Molar Refractivity
54.9795
Polarizability
21.854008
Polar Surface Area
41.57
Rotatable Bonds
3
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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