Molecule

ID:74347

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-2-5-13(6-3-1)16-12-4-9-15-10-7-14-8-11-15/h1-3,5-6,14H,4,7-12H2
InChIKey
JCMMXVUEJTZCIS-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)CCCOc1ccccc1
Isomeric Smiles
N1CCN(CC1)CCCOc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8829356
LogD (pH = 7.4)
-0.5356161
Log P
1.3582505
Molar Refractivity
66.1611
Polarizability
26.23897
Polar Surface Area
24.5
Rotatable Bonds
5
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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