Molecule

ID:14462

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO
Molecular Mass
193.28536
Exact Mass
193.14666423
Charge
0
InChI
InChI=1S/C12H19NO/c1-10-5-6-12(9-11(10)2)13-7-3-4-8-14/h5-6,9,13-14H,3-4,7-8H2,1-2H3
InChIKey
NDWXIMPEMFEDEB-UHFFFAOYSA-N
Canonic Smiles
OCCCCNc1ccc(c(c1)C)C
Isomeric Smiles
c1(cc(c(cc1)C)C)NCCCCO
Calculated Properties
JChem
Acid pKa
15.972559
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.9961549
LogD (pH = 7.4)
2.3529484
Log P
2.3600872
Molar Refractivity
62.1365
Polarizability
22.99305
Polar Surface Area
32.26
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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