Molecule

ID:25181

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₂
Molecular Mass
185.26336
Exact Mass
185.14157885
Charge
0
InChI
InChI=1S/C10H19NO2/c1-7-4-8(2)6-11(5-7)9(3)10(12)13/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKey
YNLZNXGLZDYWPC-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)O)N1CC(C)CC(C1)C
Isomeric Smiles
N1(C(C(=O)O)C)CC(CC(C1)C)C
Calculated Properties
JChem
Acid pKa
2.0611508
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9136168
LogD (pH = 7.4)
-0.9135904
Log P
-0.91353
Molar Refractivity
51.6518
Polarizability
20.459267
Polar Surface Area
40.54
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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