Molecule

ID:50186

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-2-15-13-5-3-11(4-6-13)9-12-7-8-14-10-12/h3-6,12,14H,2,7-10H2,1H3
InChIKey
JJODWGVQPYJMTJ-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)CC1CNCC1
Isomeric Smiles
N1CC(Cc2ccc(cc2)OCC)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8850244
LogD (pH = 7.4)
-0.7752288
Log P
2.355401
Molar Refractivity
62.6138
Polarizability
24.635696
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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