Molecule

ID:30809

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-15-9-5-4-6-11(15)10-16-13-8-3-2-7-12(13)14/h2-3,7-8,11H,4-6,9-10,14H2,1H3
InChIKey
OHNUDOHSZUNASX-UHFFFAOYSA-N
Canonic Smiles
CN1CCCCC1COc1ccccc1N
Isomeric Smiles
N1(C(COc2c(N)cccc2)CCCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1875513
LogD (pH = 7.4)
0.49329656
Log P
1.9154264
Molar Refractivity
67.0529
Polarizability
25.844051
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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