Molecule

ID:34149

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-16-13-4-2-12(3-5-13)6-9-15-10-7-14-8-11-15/h2-5,14H,6-11H2,1H3
InChIKey
AEKYWULYABXXHF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CCN1CCNCC1
Isomeric Smiles
c1c(ccc(c1)CCN1CCNCC1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7700772
LogD (pH = 7.4)
-0.41677776
Log P
1.5097041
Molar Refractivity
66.5743
Polarizability
26.157253
Polar Surface Area
24.5
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
No Data Available
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Molecule Details
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References
Bioactivity
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