Molecule

ID:10522

General Information
Structure
Molecular Formula
C₁₀H₂₀N₂O₂
Molecular Mass
200.278
Exact Mass
200.15247789
Charge
0
InChI
InChI=1S/C10H20N2O2/c1-9(13)12-6-3-10(4-7-12)11-5-8-14-2/h10-11H,3-8H2,1-2H3
InChIKey
RMJGIXARLGOLGM-UHFFFAOYSA-N
Canonic Smiles
COCCNC1CCN(CC1)C(=O)C
Isomeric Smiles
C1N(CCC(C1)NCCOC)C(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.1902905
LogD (pH = 7.4)
-3.3137846
Log P
-0.98615354
Molar Refractivity
55.4592
Polarizability
21.854008
Polar Surface Area
41.57
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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