Molecule

ID:20863

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO
Molecular Mass
217.30676
Exact Mass
217.14666423
Charge
0
InChI
InChI=1S/C14H19NO/c1-2-6-12-7-3-4-9-14(12)16-13-8-5-10-15-11-13/h2-4,7,9,13,15H,1,5-6,8,10-11H2
InChIKey
WTQHYGPQAHXXGG-UHFFFAOYSA-N
Canonic Smiles
C=CCc1ccccc1OC1CCCNC1
Isomeric Smiles
c1(OC2CNCCC2)c(CC=C)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.1515693
LogD (pH = 7.4)
0.97409785
Log P
3.0153065
Molar Refractivity
66.7441
Polarizability
26.325663
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
No Data Available
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Molecule Details
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References
Bioactivity
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