Molecule

ID:104168

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇NO₅
Molecular Mass
233.17698
Exact Mass
233.03242233
Charge
0
InChI
InChI=1S/C11H7NO5/c13-8-5-6(1-2-7(8)11(16)17)12-9(14)3-4-10(12)15/h1-5,13H,(H,16,17)
InChIKey
SMSVFCGGVBWUJL-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccc(c(c1)O)C(=O)O
Isomeric Smiles
OC(=O)c1c(O)cc(cc1)N1C(=O)C=CC1=O
Calculated Properties
JChem
Acid pKa
2.73522
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.4475708
LogD (pH = 7.4)
-2.249092
Log P
1.2497492
Molar Refractivity
57.2628
Polarizability
21.066133
Polar Surface Area
94.91
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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