Molecule

ID:56231

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO
Molecular Mass
169.26396
Exact Mass
169.14666423
Charge
0
InChI
InChI=1S/C10H19NO/c12-8-9-5-6-11(7-9)10-3-1-2-4-10/h9-10,12H,1-8H2
InChIKey
FJFRWUWFQYXXNP-UHFFFAOYSA-N
Canonic Smiles
OCC1CCN(C1)C1CCCC1
Isomeric Smiles
N1(CC(CC1)CO)C1CCCC1
Calculated Properties
JChem
Acid pKa
15.429261
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5660367
LogD (pH = 7.4)
-2.005893
Log P
0.9205197
Molar Refractivity
50.2438
Polarizability
19.837076
Polar Surface Area
23.47
Rotatable Bonds
2
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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