Molecule

ID:30808

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-15-9-3-2-4-12(15)10-16-13-7-5-11(14)6-8-13/h5-8,12H,2-4,9-10,14H2,1H3
InChIKey
WCUBDONLPUMSJK-UHFFFAOYSA-N
Canonic Smiles
CN1CCCCC1COc1ccc(cc1)N
Isomeric Smiles
N1(C(COc2ccc(N)cc2)CCCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3576847
LogD (pH = 7.4)
0.32198003
Log P
1.9154264
Molar Refractivity
67.0529
Polarizability
25.841873
Polar Surface Area
38.49
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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