Molecule

ID:29039

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO
Molecular Mass
193.28536
Exact Mass
193.14666423
Charge
0
InChI
InChI=1S/C12H19NO/c1-3-4-9-13-10-11-5-7-12(14-2)8-6-11/h5-8,13H,3-4,9-10H2,1-2H3
InChIKey
IBTNQSONKQDXNY-UHFFFAOYSA-N
Canonic Smiles
CCCCNCc1ccc(cc1)OC
Isomeric Smiles
c1(ccc(cc1)CNCCCC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.51069975
LogD (pH = 7.4)
0.3218921
Log P
2.6978223
Molar Refractivity
59.6428
Polarizability
23.605547
Polar Surface Area
21.26
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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