Molecule

ID:119883

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-13(2)8-12(5-7-16-13)15-10-11-4-3-6-14-9-11/h3-4,6,9,12,15H,5,7-8,10H2,1-2H3
InChIKey
FZXRWWCKNPASAJ-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OCCC(C1)NCc1cccnc1
Isomeric Smiles
C1(OCCC(C1)NCc1cnccc1)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1968813
LogD (pH = 7.4)
-1.0714083
Log P
0.97226
Molar Refractivity
64.6816
Polarizability
25.653318
Polar Surface Area
34.15
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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