Molecule

ID:30841

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₂
Molecular Mass
185.26336
Exact Mass
185.14157885
Charge
0
InChI
InChI=1S/C10H19NO2/c1-2-5-11-6-3-9(4-7-11)8-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKey
QJNJHSMOWSYJLH-UHFFFAOYSA-N
Canonic Smiles
CCCN1CCC(CC1)CC(=O)O
Isomeric Smiles
N1(CCC(CC(=O)O)CC1)CCC
Calculated Properties
JChem
Acid pKa
4.578134
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4375448
LogD (pH = 7.4)
-1.3995953
Log P
-1.3992381
Molar Refractivity
52.2177
Polarizability
20.459267
Polar Surface Area
40.54
Rotatable Bonds
4
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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