Molecule

ID:71545

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁NO₅
Molecular Mass
297.26224
Exact Mass
297.06372246
Charge
0
InChI
InChI=1S/C16H11NO5/c1-22-11-4-2-3-10(8-11)17-14(18)12-6-5-9(16(20)21)7-13(12)15(17)19/h2-8H,1H3,(H,20,21)
InChIKey
BOJFCMPQNFNMGS-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O
Isomeric Smiles
c1c(ccc2c1C(=O)N(C2=O)c1cccc(c1)OC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4905066
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.0741677
LogD (pH = 7.4)
-1.3032302
Log P
2.0749693
Molar Refractivity
77.7085
Polarizability
28.994503
Polar Surface Area
83.91
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation
2-(3-Methoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid|2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid|2-(3-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | Molfinder