Molecule

ID:91002

General Information
Structure
MolImage
Molecular Formula
C₇H₆O₄
Molecular Mass
154.12014
Exact Mass
154.02660867
Charge
0
InChI
InChI=1S/C7H6O4/c1-10-7(9)5-2-3-6(8)11-4-5/h2-4H,1H3
InChIKey
HHWWWZQYHPFCBY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(=O)oc1
Isomeric Smiles
o1cc(C(=O)OC)ccc1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.56030375
LogD (pH = 7.4)
0.56030375
Log P
0.56030375
Molar Refractivity
36.8638
Polarizability
14.041528
Polar Surface Area
52.6
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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