Molecule

ID:30688

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO
Molecular Mass
169.26396
Exact Mass
169.14666423
Charge
0
InChI
InChI=1S/C10H19NO/c1-8-9-4-2-3-5-10(9,12)6-7-11-8/h8-9,11-12H,2-7H2,1H3
InChIKey
LVDLOGDWSPRQQJ-UHFFFAOYSA-N
Canonic Smiles
CC1NCCC2(C1CCCC2)O
Isomeric Smiles
C12(C(C(NCC1)C)CCCC2)O
Calculated Properties
JChem
Acid pKa
14.464346
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.4118252
LogD (pH = 7.4)
-1.6790063
Log P
0.8050215
Molar Refractivity
49.2139
Polarizability
19.837076
Polar Surface Area
32.26
Rotatable Bonds
0
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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