Molecule

ID:50464

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₂
Molecular Mass
185.26336
Exact Mass
185.14157885
Charge
0
InChI
InChI=1S/C10H19NO2/c1-8(2)6-11-4-3-9(7-11)5-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKey
INWZNCOPMDMAAP-UHFFFAOYSA-N
Canonic Smiles
CC(CN1CCC(C1)CC(=O)O)C
Isomeric Smiles
N1(CC(CC(=O)O)CC1)CC(C)C
Calculated Properties
JChem
Acid pKa
4.496816
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4348822
LogD (pH = 7.4)
-1.4016789
Log P
-1.401955
Molar Refractivity
52.0113
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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