Molecule

ID:19422

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-15-13-9-5-4-7-11(13)12-8-3-2-6-10-14-12/h4-5,7,9,12,14H,2-3,6,8,10H2,1H3
InChIKey
QUGWHACTNJAVTB-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C1CCCCCN1
Isomeric Smiles
c1(C2NCCCCC2)c(OC)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.43208435
LogD (pH = 7.4)
0.7222677
Log P
2.7286253
Molar Refractivity
62.1824
Polarizability
24.712265
Polar Surface Area
21.26
Rotatable Bonds
2
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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