Molecule

ID:16691

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₂
Molecular Mass
196.24624
Exact Mass
196.12117776
Charge
0
InChI
InChI=1S/C10H16N2O2/c1-4-5-9(10(13)14)12-8(3)6-7(2)11-12/h6,9H,4-5H2,1-3H3,(H,13,14)
InChIKey
XCONUUUICDYQDP-UHFFFAOYSA-N
Canonic Smiles
CCCC(n1nc(cc1C)C)C(=O)O
Isomeric Smiles
n1(C(CCC)C(=O)O)nc(cc1C)C
Calculated Properties
JChem
Acid pKa
4.2143774
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.30199325
LogD (pH = 7.4)
-1.3688529
Log P
1.3679582
Molar Refractivity
64.4061
Polarizability
20.401173
Polar Surface Area
55.12
Rotatable Bonds
4
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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