Molecule

ID:115903

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-2-5-12(6-3-1)10-15-11-13-7-4-8-14-9-13/h1-3,5-6,13-14H,4,7-11H2
InChIKey
QZQDAWTWOLCCAR-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)COCc1ccccc1
Isomeric Smiles
N1CC(COCc2ccccc2)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2342937
LogD (pH = 7.4)
-0.7193456
Log P
1.9949383
Molar Refractivity
62.5007
Polarizability
24.728235
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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