Molecule

ID:18065

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO
Molecular Mass
193.28536
Exact Mass
193.14666423
Charge
0
InChI
InChI=1S/C12H19NO/c1-9(2)11-5-4-10(3)12(8-11)14-7-6-13/h4-5,8-9H,6-7,13H2,1-3H3
InChIKey
PXSOMQWMMNYHCT-UHFFFAOYSA-N
Canonic Smiles
NCCOc1cc(ccc1C)C(C)C
Isomeric Smiles
c1c(ccc(c1OCCN)C)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.18457554
LogD (pH = 7.4)
0.921068
Log P
2.7770212
Molar Refractivity
59.703
Polarizability
23.449167
Polar Surface Area
35.25
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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