BioLiP

PDB

BioLiP

PDB CCD ID:

FNN

Number of entries in BioLiP:

Chemical formula:

C6 H4 F N O3

InChI:

InChI=1S/C6H4FNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H

InChIKey:

CSSGKHVRDGATJL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	c1cc(c(cc1O)F)[N+](=O)[O-]
ACDLabs 12.01	Fc1c([N+]([O-])=O)ccc(O)c1
CACTVS 3.370	Oc1ccc(c(F)c1)[N+]([O-])=O

Name:

3-fluoro-4-nitrophenol

ZINC:

ZINC000036047178

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).