Molecule

ID:30715

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁NO₂
Molecular Mass
187.27924
Exact Mass
187.15722892
Charge
0
InChI
InChI=1S/C10H21NO2/c1-11-7-9(12)8-13-10-5-3-2-4-6-10/h9-12H,2-8H2,1H3
InChIKey
JFKAAPYQOAYPDN-UHFFFAOYSA-N
Canonic Smiles
CNCC(COC1CCCCC1)O
Isomeric Smiles
O(CC(O)CNC)C1CCCCC1
Calculated Properties
JChem
Acid pKa
14.107413
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.2674696
LogD (pH = 7.4)
-1.3250874
Log P
0.9290816
Molar Refractivity
52.7136
Polarizability
21.256657
Polar Surface Area
41.49
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
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Molecule Details
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References
Bioactivity
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