Molecule

ID:44477

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO
Molecular Mass
169.26396
Exact Mass
169.14666423
Charge
0
InChI
InChI=1S/C10H19NO/c1-9(2)3-6-11-7-4-10(12)5-8-11/h9H,3-8H2,1-2H3
InChIKey
CYAPBSDGKXPORX-UHFFFAOYSA-N
Canonic Smiles
CC(CCN1CCC(=O)CC1)C
Isomeric Smiles
N1(CCC(=O)CC1)CCC(C)C
Calculated Properties
JChem
Acid pKa
17.815765
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.39957017
LogD (pH = 7.4)
1.3064377
Log P
1.784051
Molar Refractivity
50.8857
Polarizability
20.021254
Polar Surface Area
20.31
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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