Molecule

ID:117103

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-15-13-7-5-11(6-8-13)12-4-2-3-9-14-10-12/h5-8,12,14H,2-4,9-10H2,1H3
InChIKey
LMUYBXXGHQFWSY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1CCCCNC1
Isomeric Smiles
N1CC(c2ccc(cc2)OC)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7884117
LogD (pH = 7.4)
-0.331696
Log P
2.443162
Molar Refractivity
62.4662
Polarizability
24.634254
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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