Molecule

ID:21852

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃NO
Molecular Mass
197.31712
Exact Mass
197.17796436
Charge
0
InChI
InChI=1S/C12H23NO/c14-11-5-4-9-13-10-8-12-6-2-1-3-7-12/h6,13-14H,1-5,7-11H2
InChIKey
ZUCMDRAQTBQWBN-UHFFFAOYSA-N
Canonic Smiles
OCCCCNCCC1=CCCCC1
Isomeric Smiles
C1(=CCCCC1)CCNCCCCO
Calculated Properties
JChem
Acid pKa
15.972579
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.4621693
LogD (pH = 7.4)
-1.0123522
Log P
1.7696606
Molar Refractivity
61.7687
Polarizability
24.023426
Polar Surface Area
32.26
Rotatable Bonds
7
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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