Molecule

ID:30564

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-16-13-5-2-4-12(10-13)11-15-8-3-6-14-7-9-15/h2,4-5,10,14H,3,6-9,11H2,1H3
InChIKey
DQLMGHXVUWMDGK-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)CN1CCNCCC1
Isomeric Smiles
N1(Cc2cc(OC)ccc2)CCCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.2382748
LogD (pH = 7.4)
-1.3667828
Log P
1.2810026
Molar Refractivity
66.6847
Polarizability
26.234114
Polar Surface Area
24.5
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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