Molecule

ID:66435

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-2-14-7-9-15(10-8-14)13-6-4-3-5-12(13)11-16/h3-6,16H,2,7-11H2,1H3
InChIKey
KRYOTUHYCVJRAS-UHFFFAOYSA-N
Canonic Smiles
CCN1CCN(CC1)c1ccccc1CO
Isomeric Smiles
C(O)c1c(cccc1)N1CCN(CC1)CC
Calculated Properties
JChem
Acid pKa
14.9666
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9677831
LogD (pH = 7.4)
0.79838413
Log P
1.5178674
Molar Refractivity
68.1012
Polarizability
25.777857
Polar Surface Area
26.71
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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