Molecule

ID:54959

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)12-6-8(7-12)4-5-11/h8H,4-7,11H2,1-3H3
InChIKey
XQNQFOKZUQWWDO-UHFFFAOYSA-N
Canonic Smiles
NCCC1CN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CC(C1)CCN)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6555529
LogD (pH = 7.4)
-2.026395
Log P
0.35908118
Molar Refractivity
55.1885
Polarizability
21.854008
Polar Surface Area
55.56
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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