Molecule

ID:68954

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₄
Molecular Mass
147.12926
Exact Mass
147.05315777
Charge
0
InChI
InChI=1S/C5H9NO4/c7-6(8)2-1-5-9-3-4-10-5/h5H,1-4H2
InChIKey
ZYXOSRQIZOOVTN-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)CCC1OCCO1
Isomeric Smiles
O1C(OCC1)CC[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
6.2457757
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.28790712
LogD (pH = 7.4)
-0.8170591
Log P
0.35953987
Molar Refractivity
30.8908
Polarizability
12.698548
Polar Surface Area
61.6
Rotatable Bonds
3
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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