Molecule

ID:69605

General Information
Structure
MolImage
Molecular Formula
C₈H₆O₃
Molecular Mass
150.13144
Exact Mass
150.03169405
Charge
0
InChI
InChI=1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11)
InChIKey
GOUHYARYYWKXHS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)C(=O)O
Isomeric Smiles
C(=O)(c1ccc(cc1)C=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.92
LogD (pH = 5.5)
-0.36
Log P
1.34
Rotatable Bonds
2
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.80
Polar Surface Area
54.37
Polarizability
14.20
Molar Refractivity
39.90
LOG S
-1.43
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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