Molecule

ID:51201

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O₂
Molecular Mass
200.278
Exact Mass
200.15247789
Charge
0
InChI
InChI=1S/C10H20N2O2/c1-2-11-10(14)12-7-4-3-5-9(12)6-8-13/h9,13H,2-8H2,1H3,(H,11,14)
InChIKey
VNPGSDWSHMZOAU-UHFFFAOYSA-N
Canonic Smiles
OCCC1CCCCN1C(=O)NCC
Isomeric Smiles
N1(C(=O)NCC)C(CCO)CCCC1
Calculated Properties
JChem
Acid pKa
15.471322
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.05600716
LogD (pH = 7.4)
-0.05600679
Log P
-0.05600678
Molar Refractivity
55.5512
Polarizability
21.401731
Polar Surface Area
52.57
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
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References
Bioactivity
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