Molecule

ID:33549

General Information
Structure
Molecular Formula
C₁₀H₂₀N₂O₂
Molecular Mass
200.278
Exact Mass
200.15247789
Charge
0
InChI
InChI=1S/C10H20N2O2/c1-11-6-4-9(8-11)12(2)7-5-10(13)14-3/h9H,4-8H2,1-3H3
InChIKey
XVVRJVMESFWJGP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCN(C1CCN(C1)C)C
Isomeric Smiles
N1(CC(N(CCC(=O)OC)C)CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-3.6428404
LogD (pH = 7.4)
-2.1557496
Log P
0.017905954
Molar Refractivity
56.1269
Polarizability
22.239014
Polar Surface Area
32.78
Rotatable Bonds
5
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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