Molecule

ID:53087

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₄
Molecular Mass
205.16688
Exact Mass
205.03750771
Charge
0
InChI
InChI=1S/C10H7NO4/c12-9(13)6-2-1-5-3-8(10(14)15)11-7(5)4-6/h1-4,11H,(H,12,13)(H,14,15)
InChIKey
WXXRCNKKYCNYFF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)[nH]c(c2)C(=O)O
Isomeric Smiles
c1c(cc2c(c1)cc([nH]2)C(=O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4193544
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.1951318
LogD (pH = 7.4)
-5.2481427
Log P
1.3071748
Molar Refractivity
51.5344
Polarizability
20.225056
Polar Surface Area
90.39
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
暂无数据
点击上传数据
References
Bioactivity
Navigation