Molecule

ID:54955

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)7-12-6-8-4-11-5-8/h8,11-12H,4-7H2,1-3H3
InChIKey
REPCXHOBHXHEPF-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)CNCC1CNC1
Isomeric Smiles
N1CC(C1)CNCC(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.3201225
LogD (pH = 7.4)
-2.882894
Log P
0.0028160266
Molar Refractivity
54.6655
Polarizability
22.239014
Polar Surface Area
50.36
Rotatable Bonds
6
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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