Molecule

ID:21578

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO
Molecular Mass
193.28536
Exact Mass
193.14666423
Charge
0
InChI
InChI=1S/C12H19NO/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9H,2-5,10,13H2,1H3
InChIKey
DJRKHTCUXRGYEU-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccc(cc1)N
Isomeric Smiles
c1(N)ccc(cc1)OCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.055006
LogD (pH = 7.4)
3.197524
Log P
3.1996849
Molar Refractivity
60.2972
Polarizability
23.209923
Polar Surface Area
35.25
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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