Molecule

ID:108625

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₃NO
Molecular Mass
173.29572
Exact Mass
173.17796436
Charge
0
InChI
InChI=1S/C10H23NO/c1-3-5-7-11(9-10-12)8-6-4-2/h12H,3-10H2,1-2H3
InChIKey
IWSZDQRGNFLMJS-UHFFFAOYSA-N
Canonic Smiles
CCCCN(CCCC)CCO
Isomeric Smiles
CCCCN(CCO)CCCC
Calculated Properties
JChem
Acid pKa
15.593298
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3145442
LogD (pH = 7.4)
-0.42704797
Log P
2.1478655
Molar Refractivity
54.0276
Polarizability
21.305527
Polar Surface Area
23.47
Rotatable Bonds
8
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
References
Bioactivity
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