Molecule

ID:29614

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO
Molecular Mass
193.28536
Exact Mass
193.14666423
Charge
0
InChI
InChI=1S/C12H19NO/c1-4-10(2)13-9-11-5-7-12(14-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3
InChIKey
BFIFDYOBNXBOST-UHFFFAOYSA-N
Canonic Smiles
CCC(NCc1ccc(cc1)OC)C
Isomeric Smiles
N(Cc1ccc(cc1)OC)C(CC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.54367346
LogD (pH = 7.4)
0.23227964
Log P
2.6698287
Molar Refractivity
59.4606
Polarizability
23.605545
Polar Surface Area
21.26
Rotatable Bonds
5
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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