Molecule

ID:34525

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-2-16-14-5-3-12(4-6-14)11-13-7-9-15-10-8-13/h3-6,13,15H,2,7-11H2,1H3
InChIKey
OTAIYQSYOVJZHO-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)CC1CCNCC1
Isomeric Smiles
N1CCC(CC1)Cc1ccc(cc1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5095502
LogD (pH = 7.4)
-0.0526403
Log P
2.722016
Molar Refractivity
67.2918
Polarizability
26.48182
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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