Molecule

ID:79430

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃NO
Molecular Mass
197.31712
Exact Mass
197.17796436
Charge
0
InChI
InChI=1S/C12H23NO/c1-2-3-4-5-6-8-11-9-7-10-12(11)13-14/h11,14H,2-10H2,1H3
InChIKey
QKTMJYBDXVBHRN-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC1CCC/C/1=N\O
Isomeric Smiles
N(=C\1/C(CCC1)CCCCCCC)\O
Calculated Properties
JChem
Acid pKa
11.735153
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.261868
LogD (pH = 7.4)
4.263463
Log P
4.2635036
Molar Refractivity
59.6486
Polarizability
23.526913
Polar Surface Area
32.59
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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