Molecule

ID:56024

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₂
Molecular Mass
196.24624
Exact Mass
196.12117776
Charge
0
InChI
InChI=1S/C10H16N2O2/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12/h1-4H,5-8,11-12H2
InChIKey
WBVRBDYCSNZULV-UHFFFAOYSA-N
Canonic Smiles
NCCOc1ccc(cc1)OCCN
Isomeric Smiles
c1(ccc(cc1)OCCN)OCCN
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-5.85926
LogD (pH = 7.4)
-3.6479838
Log P
0.06393567
Molar Refractivity
54.884
Polarizability
22.097288
Polar Surface Area
70.5
Rotatable Bonds
6
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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