Molecule

ID:57424

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-13(2)10-14-8-9-15(13)11-4-6-12(16-3)7-5-11/h4-7,14H,8-10H2,1-3H3
InChIKey
LGGXLZKDLYDSNL-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N1CCNCC1(C)C
Isomeric Smiles
c1cc(ccc1N1CCNCC1(C)C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0187927
LogD (pH = 7.4)
0.3244696
Log P
2.0848417
Molar Refractivity
66.7622
Polarizability
25.83994
Polar Surface Area
24.5
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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