Molecule

ID:20651

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃NO
Molecular Mass
185.30642
Exact Mass
185.17796436
Charge
0
InChI
InChI=1S/C11H23NO/c1-10(2)5-7-13-9-11-4-3-6-12-8-11/h10-12H,3-9H2,1-2H3
InChIKey
QCXNMIQIRYFYMJ-UHFFFAOYSA-N
Canonic Smiles
CC(CCOCC1CCCNC1)C
Isomeric Smiles
N1CC(COCCC(C)C)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.347849
LogD (pH = 7.4)
-0.8329086
Log P
1.8813832
Molar Refractivity
56.3103
Polarizability
22.48926
Polar Surface Area
21.26
Rotatable Bonds
5
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
No Data Available
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Molecule Details
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References
Bioactivity
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