Molecule

ID:50210

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-2-16-14-7-5-12(6-8-14)10-13-4-3-9-15-11-13/h5-8,13,15H,2-4,9-11H2,1H3
InChIKey
RSACBNWSKVWJRW-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)CC1CCCNC1
Isomeric Smiles
N1CC(Cc2ccc(cc2)OCC)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.42834714
LogD (pH = 7.4)
0.10730441
Log P
2.79997
Molar Refractivity
67.2148
Polarizability
26.481754
Polar Surface Area
21.26
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
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Molecule Details
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References
Bioactivity
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