Molecule

ID:1831

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO₂
Molecular Mass
117.14634
Exact Mass
117.0789786
Charge
0
InChI
InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
InChIKey
JJMDCOVWQOJGCB-UHFFFAOYSA-N
Canonic Smiles
NCCCCC(=O)O
Isomeric Smiles
NCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.44
LogD (pH = 5.5)
-2.49
Log P
-2.44
Rotatable Bonds
4
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
10.21
Polar Surface Area
63.32
Polarizability
12.64
Molar Refractivity
30.06
LOG S
0.46
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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