Molecule

ID:19468

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-2-16-13-8-6-7-12(11-13)14-9-4-3-5-10-15-14/h6-8,11,14-15H,2-5,9-10H2,1H3
InChIKey
SYCZZIGQKRWZQC-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)C1CCCCCN1
Isomeric Smiles
c1(C2NCCCCC2)cc(OCC)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.1259438
LogD (pH = 7.4)
0.67517686
Log P
3.0854332
Molar Refractivity
66.931
Polarizability
26.558037
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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