Molecule

ID:19808

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O₂
Molecular Mass
236.3101
Exact Mass
236.15247789
Charge
0
InChI
InChI=1S/C13H20N2O2/c1-11-2-3-13(12(14)10-11)17-9-6-15-4-7-16-8-5-15/h2-3,10H,4-9,14H2,1H3
InChIKey
UNJIPABETCGQTH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)N)OCCN1CCOCC1
Isomeric Smiles
c1(c(ccc(c1)C)OCCN1CCOCC1)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.11616965
LogD (pH = 7.4)
1.2300078
Log P
1.300214
Molar Refractivity
69.3564
Polarizability
26.447952
Polar Surface Area
47.72
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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