Molecule

ID:20794

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-11-2-4-13(5-3-11)15-10-12-6-8-14-9-7-12/h2-5,12,14H,6-10H2,1H3
InChIKey
OIRBFUKKCSYAKX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)OCC1CCNCC1
Isomeric Smiles
N1CCC(COc2ccc(cc2)C)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.798066
LogD (pH = 7.4)
-0.3372952
Log P
2.4333549
Molar Refractivity
62.5368
Polarizability
24.636965
Polar Surface Area
21.26
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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