Molecule

ID:30829

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-16-14-5-3-2-4-13(14)7-6-12-8-10-15-11-9-12/h2-5,12,15H,6-11H2,1H3
InChIKey
UHNOFEFWGGDKHV-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CCC1CCNCC1
Isomeric Smiles
N1CCC(CCc2c(OC)cccc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.42181137
LogD (pH = 7.4)
0.03451427
Log P
2.8097768
Molar Refractivity
67.1442
Polarizability
26.48372
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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