Molecule

ID:33183

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₃
Molecular Mass
131.12986
Exact Mass
131.05824315
Charge
0
InChI
InChI=1S/C5H9NO3/c6-4(7)2-1-3-5(8)9/h1-3H2,(H2,6,7)(H,8,9)
InChIKey
GTFMAONWNTUZEW-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCCC(=O)O
Isomeric Smiles
C(=O)(N)CCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.68
LogD (pH = 5.5)
-1.93
Log P
-0.76
Rotatable Bonds
4
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.36
Polar Surface Area
80.39
Polarizability
12.55
Molar Refractivity
29.96
LOG S
0.36
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation