Molecule

ID:29111

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO
Molecular Mass
193.28536
Exact Mass
193.14666423
Charge
0
InChI
InChI=1S/C12H19NO/c1-10(2)13-7-8-14-12-6-4-5-11(3)9-12/h4-6,9-10,13H,7-8H2,1-3H3
InChIKey
KTJJUEVOOLHUFF-UHFFFAOYSA-N
Canonic Smiles
CC(NCCOc1cccc(c1)C)C
Isomeric Smiles
c1c(OCCNC(C)C)cccc1C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.4574114
LogD (pH = 7.4)
0.49415442
Log P
2.7379756
Molar Refractivity
59.4542
Polarizability
23.530313
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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