Molecule

ID:20709

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-2-12-5-7-14(8-6-12)16-11-13-4-3-9-15-10-13/h5-8,13,15H,2-4,9-11H2,1H3
InChIKey
NZFUQLZOJKQCLM-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)OCC1CCCNC1
Isomeric Smiles
N1CC(COc2ccc(cc2)CC)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.30240694
LogD (pH = 7.4)
0.35518026
Log P
2.9194803
Molar Refractivity
67.039
Polarizability
26.482164
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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