Molecule

ID:1447

General Information
Structure
MolImage
Molecular Formula
C₇H₆O₄
Molecular Mass
154.12014
Exact Mass
154.02660867
Charge
0
InChI
InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)
InChIKey
GLDQAMYCGOIJDV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1O)O
Isomeric Smiles
OC(=O)c1cccc(O)c1O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.84
LogD (pH = 5.5)
-1.17
Log P
1.67
Rotatable Bonds
1
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
2.56
Polar Surface Area
77.76
Polarizability
13.72
Molar Refractivity
37.28
LOG S
-0.68
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation