Molecule

ID:76559

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO
Molecular Mass
183.29054
Exact Mass
183.1623143
Charge
0
InChI
InChI=1S/C11H21NO/c1-11(13)7-8-12(2)10-6-4-3-5-9(10)11/h9-10,13H,3-8H2,1-2H3
InChIKey
OFUROGGOSSXCBF-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(C2C1CCCC2)(C)O
Isomeric Smiles
N1(C)CCC(C2C1CCCC2)(O)C
Calculated Properties
JChem
Acid pKa
14.700413
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2633271
LogD (pH = 7.4)
-1.2854661
Log P
1.1880695
Molar Refractivity
54.5086
Polarizability
21.68083
Polar Surface Area
23.47
Rotatable Bonds
0
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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