Molecule

ID:44474

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO
Molecular Mass
183.29054
Exact Mass
183.1623143
Charge
0
InChI
InChI=1S/C11H21NO/c1-2-3-4-5-8-12-9-6-11(13)7-10-12/h2-10H2,1H3
InChIKey
NUPCXPOFGHXLIZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCN1CCC(=O)CC1
Isomeric Smiles
N1(CCC(=O)CC1)CCCCCC
Calculated Properties
JChem
Acid pKa
17.850092
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.53104085
LogD (pH = 7.4)
2.1053076
Log P
2.3861692
Molar Refractivity
55.5391
Polarizability
21.865639
Polar Surface Area
20.31
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
Molecule Details
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References
Bioactivity
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