Molecule

ID:59256

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₂
Molecular Mass
171.23678
Exact Mass
171.12592879
Charge
0
InChI
InChI=1S/C9H17NO2/c11-9(12)8-10-6-4-2-1-3-5-7-10/h1-8H2,(H,11,12)
InChIKey
ACPZBHLMRDYFIH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCCCCCC1
Isomeric Smiles
N1(CC(=O)O)CCCCCCC1
Calculated Properties
JChem
Acid pKa
2.0402598
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3230736
LogD (pH = 7.4)
-1.3231317
Log P
-1.322993
Molar Refractivity
47.4167
Polarizability
18.621471
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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