Molecule

ID:71684

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₂
Molecular Mass
185.26336
Exact Mass
185.14157885
Charge
0
InChI
InChI=1S/C10H19NO2/c1-9-4-7-11(8-5-9)6-2-3-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKey
NFINUZCPZMEZBQ-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)CCCC(=O)O
Isomeric Smiles
C1C(CCN(C1)CCCC(=O)O)C
Calculated Properties
JChem
Acid pKa
4.5056605
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4331366
LogD (pH = 7.4)
-1.399857
Log P
-1.4000701
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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