Molecule

ID:78558

General Information
Structure
MolImage
Molecular Formula
C₃H₅NO₄
Molecular Mass
119.0761
Exact Mass
119.02185765
Charge
0
InChI
InChI=1S/C3H5NO4/c1-8-3(5)2-4(6)7/h2H2,1H3
InChIKey
ALBSWLMUHHZLLR-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)CC(=O)OC
Isomeric Smiles
O(C(=O)C[N+](=O)[O-])C
Calculated Properties
JChem
Acid pKa
7.657681
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.35029408
LogD (pH = 7.4)
-0.53798735
Log P
-0.34728798
Molar Refractivity
22.4371
Polarizability
9.216148
Polar Surface Area
69.44
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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