Molecule

ID:132339

General Information
Structure
MolImage
Molecular Formula
C₆H₅NO₄
Molecular Mass
155.1082
Exact Mass
155.02185765
Charge
0
InChI
InChI=1S/C6H5NO4/c1-11-6(10)7-4(8)2-3-5(7)9/h2-3H,1H3
InChIKey
LLAZQXZGAVBLRX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)N1C(=O)C=CC1=O
Isomeric Smiles
COC(=O)N1C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.028003484
LogD (pH = 7.4)
-0.028003484
Log P
-0.028003484
Molar Refractivity
34.5409
Polarizability
13.060513
Polar Surface Area
63.68
Rotatable Bonds
1
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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