Molecule

ID:74229

General Information
Structure
MolImage
Molecular Formula
C₇H₆O₅
Molecular Mass
170.11954
Exact Mass
170.02152329
Charge
0
InChI
InChI=1S/C7H6O5/c8-5(1-3-6(9)10)2-4-7(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKey
FORGRSMNOFWNBO-UHFFFAOYSA-N
Canonic Smiles
O=C(/C=C/C(=O)O)/C=C/C(=O)O
Isomeric Smiles
OC(=O)/C=C/C(=O)/C=C/C(=O)O
Calculated Properties
JChem
Acid pKa
2.9474466
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.8510985
LogD (pH = 7.4)
-6.346506
Log P
0.47114256
Molar Refractivity
40.1214
Polarizability
14.447163
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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