Molecule

ID:116943

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-3-15-9-8-14-13(10-15)11-4-6-12(16-2)7-5-11/h4-7,13-14H,3,8-10H2,1-2H3
InChIKey
LQOWRQXCEKRNOG-UHFFFAOYSA-N
Canonic Smiles
CCN1CCNC(C1)c1ccc(cc1)OC
Isomeric Smiles
N1(CC(NCC1)c1ccc(cc1)OC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4414986
LogD (pH = 7.4)
0.14443476
Log P
1.637618
Molar Refractivity
66.2381
Polarizability
26.23343
Polar Surface Area
24.5
Rotatable Bonds
3
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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