Molecule

ID:44475

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO
Molecular Mass
181.27466
Exact Mass
181.14666423
Charge
0
InChI
InChI=1S/C11H19NO/c13-11-6-8-12(9-7-11)10-4-2-1-3-5-10/h10H,1-9H2
InChIKey
QQYHUQVNANUTNM-UHFFFAOYSA-N
Canonic Smiles
O=C1CCN(CC1)C1CCCCC1
Isomeric Smiles
N1(CCC(=O)CC1)C1CCCCC1
Calculated Properties
JChem
Acid pKa
17.776335
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.53984475
LogD (pH = 7.4)
1.228831
Log P
1.9724033
Molar Refractivity
53.4777
Polarizability
21.132408
Polar Surface Area
20.31
Rotatable Bonds
1
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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