Molecule

ID:31560

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀FNO₄
Molecular Mass
251.2105032
Exact Mass
251.05938603
Charge
0
InChI
InChI=1S/C12H10FNO4/c1-7-10(11(12(15)16)14-18-7)6-17-9-4-2-8(13)3-5-9/h2-5H,6H2,1H3,(H,15,16)
InChIKey
LZGUJDYMYQPFEI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)OCc1c(C)onc1C(=O)O
Isomeric Smiles
c1(c(c(on1)C)COc1ccc(F)cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8695574
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.65523857
LogD (pH = 7.4)
-0.9387636
Log P
2.2902896
Molar Refractivity
60.8261
Polarizability
22.372715
Polar Surface Area
72.56
Rotatable Bonds
4
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