Molecule

ID:17560

General Information
Structure
Molecular Formula
C₁₁H₂₀N₂O
Molecular Mass
196.2893
Exact Mass
196.15756327
Charge
0
InChI
InChI=1S/C11H20N2O/c14-11(9-3-1-2-4-9)13-10-5-7-12-8-6-10/h9-10,12H,1-8H2,(H,13,14)
InChIKey
WCCWHEDYTQBSPQ-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCC1)NC1CCNCC1
Isomeric Smiles
C1(C(=O)NC2CCNCC2)CCCC1
Calculated Properties
JChem
Acid pKa
16.050127
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.7141285
LogD (pH = 7.4)
-2.029818
Log P
0.5060795
Molar Refractivity
56.1202
Polarizability
22.265976
Polar Surface Area
41.13
Rotatable Bonds
2
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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