Molecule

ID:29256

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO
Molecular Mass
193.28536
Exact Mass
193.14666423
Charge
0
InChI
InChI=1S/C12H19NO/c1-10(2)9-14-12-7-5-4-6-11(12)8-13-3/h4-7,10,13H,8-9H2,1-3H3
InChIKey
PUPKXKGFKLNZMW-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccccc1OCC(C)C
Isomeric Smiles
c1(c(OCC(C)C)cccc1)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.4507457
LogD (pH = 7.4)
0.96779877
Log P
2.6182265
Molar Refractivity
59.5134
Polarizability
23.605606
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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