Molecule

ID:50890

General Information
Structure
Molecular Formula
C₁₀H₉NO₄
Molecular Mass
207.18276
Exact Mass
207.05315777
Charge
0
InChI
InChI=1S/C10H9NO4/c12-9(13)5-8-10(14)11-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H,11,14)(H,12,13)
InChIKey
GBWCBWJRILQTBI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1Oc2ccccc2NC1=O
Isomeric Smiles
N1C(=O)C(Oc2c1cccc2)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.7212653
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.0966955
LogD (pH = 7.4)
-2.6152437
Log P
0.6815663
Molar Refractivity
51.3544
Polarizability
19.44539
Polar Surface Area
75.63
Rotatable Bonds
2
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