Molecule

ID:20856

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-10-5-3-7-13(11(10)2)15-12-6-4-8-14-9-12/h3,5,7,12,14H,4,6,8-9H2,1-2H3
InChIKey
ASENSQCMNLUDAX-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1C)OC1CCCNC1
Isomeric Smiles
c1(c(c(ccc1)C)C)OC1CNCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.22694452
LogD (pH = 7.4)
0.8805841
Log P
2.9435785
Molar Refractivity
62.5392
Polarizability
24.558575
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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