Molecule

ID:20485

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-10-8-12(6-7-13(10)14)15-9-11-4-2-3-5-11/h6-8,11H,2-5,9,14H2,1H3
InChIKey
GAOXDNQJNPWHJJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C)OCC1CCCC1
Isomeric Smiles
c1(c(ccc(c1)OCC1CCCC1)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.047877
LogD (pH = 7.4)
3.168013
Log P
3.1697845
Molar Refractivity
63.4068
Polarizability
24.239664
Polar Surface Area
35.25
Rotatable Bonds
3
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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