Molecule

ID:34019

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)12-8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKey
WUOQXNWMYLFAHT-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC1CCCNC1
Isomeric Smiles
C(=O)(NC1CNCCC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.962428
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.207441
LogD (pH = 7.4)
-1.1248345
Log P
0.96779966
Molar Refractivity
54.7274
Polarizability
21.854008
Polar Surface Area
50.36
Rotatable Bonds
3
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
References
Bioactivity
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