Molecule

ID:46016

General Information
Structure
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-3-10(2)12-6-4-5-7-13(12)15-11-8-14-9-11/h4-7,10-11,14H,3,8-9H2,1-2H3
InChIKey
UHSBAZQKWZBWQS-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1OC1CNC1)C
Isomeric Smiles
c1(c(C(CC)C)cccc1)OC1CNC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.17230627
LogD (pH = 7.4)
1.8188742
Log P
3.028991
Molar Refractivity
61.7386
Polarizability
24.636396
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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