Molecule

ID:14897

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₄
Molecular Mass
205.16688
Exact Mass
205.03750771
Charge
0
InChI
InChI=1S/C10H7NO4/c12-8-4-2-1-3-6(8)9-5-7(10(13)14)11-15-9/h1-5,12H,(H,13,14)
InChIKey
UZFWPGDNEOHFBK-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1c1onc(c1)C(=O)O
Isomeric Smiles
c1(c2cc(no2)C(=O)O)c(cccc1)O
Calculated Properties
JChem
Acid pKa
3.9043915
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.04320515
LogD (pH = 7.4)
-1.583787
Log P
1.6448857
Molar Refractivity
51.3788
Polarizability
20.243248
Polar Surface Area
83.56
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