Molecule

ID:6240

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₄
Molecular Mass
192.16812
Exact Mass
192.04225874
Charge
0
InChI
InChI=1S/C10H8O4/c11-8-4-2-1-3-7(8)5-6-9(12)10(13)14/h1-6,11H,(H,13,14)/b6-5+
InChIKey
HMXOGGUFCBUALL-AATRIKPKSA-N
Canonic Smiles
OC(=O)C(=O)/C=C/c1ccccc1O
Isomeric Smiles
O=C(C(=O)O)/C=C/c1ccccc1O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.38
LogD (pH = 5.5)
-0.48
Log P
2.12
Rotatable Bonds
3
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
2.84
Polar Surface Area
74.60
Polarizability
18.30
Molar Refractivity
50.39
LOG S
-2.13
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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