Molecule

ID:12954

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO
Molecular Mass
193.28536
Exact Mass
193.14666423
Charge
0
InChI
InChI=1S/C12H19NO/c1-3-12(14)8-9(2)13-11-7-5-4-6-10(11)12/h1,9-11,13-14H,4-8H2,2H3
InChIKey
CGXPLMNBJQMOOL-UHFFFAOYSA-N
Canonic Smiles
C#CC1(O)CC(C)NC2C1CCCC2
Isomeric Smiles
C1CCC2C(C1)C(CC(N2)C)(C#C)O
Calculated Properties
JChem
Acid pKa
12.988714
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.1285772
LogD (pH = 7.4)
-1.4638664
Log P
1.0928717
Molar Refractivity
56.4643
Polarizability
22.42408
Polar Surface Area
32.26
Rotatable Bonds
0
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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