Molecule

ID:17600

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂N₂O₂
Molecular Mass
202.29388
Exact Mass
202.16812795
Charge
0
InChI
InChI=1S/C10H22N2O2/c1-9(2)14-8-10(13)7-12-5-3-11-4-6-12/h9-11,13H,3-8H2,1-2H3
InChIKey
WOTIBMPUIACMOE-UHFFFAOYSA-N
Canonic Smiles
OC(CN1CCNCC1)COC(C)C
Isomeric Smiles
N1(CC(COC(C)C)O)CCNCC1
Calculated Properties
JChem
Acid pKa
14.097395
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.452027
LogD (pH = 7.4)
-2.1131966
Log P
-0.24968636
Molar Refractivity
56.9169
Polarizability
22.78452
Polar Surface Area
44.73
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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