Molecule

ID:96358

General Information
Structure
MolImage
Molecular Formula
C₇H₄FNO₃
Molecular Mass
169.1099632
Exact Mass
169.01752121
Charge
0
InChI
InChI=1S/C7H4FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H
InChIKey
ILKWFRCNNILIJW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)[N+](=O)[O-])F
Isomeric Smiles
[N+](=O)(c1c(ccc(c1)C=O)F)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7684343
LogD (pH = 7.4)
1.7684343
Log P
1.7684343
Molar Refractivity
39.1789
Polarizability
13.954626
Polar Surface Area
60.21
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