Molecule

ID:95317

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀FNO₄
Molecular Mass
275.2319032
Exact Mass
275.05938603
Charge
0
InChI
InChI=1S/C14H10FNO4/c15-12-3-1-2-10(6-12)9-20-14-5-4-13(16(18)19)7-11(14)8-17/h1-8H,9H2
InChIKey
NHPUDKLPCIIKNM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(ccc1OCc1cccc(c1)F)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(c(c1)C=O)OCc1cc(ccc1)F)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.335236
LogD (pH = 7.4)
3.335236
Log P
3.335236
Molar Refractivity
71.2589
Polarizability
25.938158
Polar Surface Area
72.12
Rotatable Bonds
5
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