Molecule

ID:70093

General Information
Structure
MolImage
Molecular Formula
C₅H₆O₅
Molecular Mass
146.09814
Exact Mass
146.02152329
Charge
0
InChI
InChI=1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)
InChIKey
OXTNCQMOKLOUAM-UHFFFAOYSA-N
Canonic Smiles
O=C(CC(=O)O)CC(=O)O
Isomeric Smiles
C(C(=O)CC(=O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.2495573
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.8336027
LogD (pH = 7.4)
-6.730684
Log P
-0.1092633
Molar Refractivity
28.883
Polarizability
11.379348
Polar Surface Area
91.67
Rotatable Bonds
4
Lipinski's Rule of Five
true
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