English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

QLA

Summary

Name:	2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione
Formula:	C16 H10 F N O3
Formal charge:	0
Formula weight:	283.254 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione
OpenEye OEToolkits	2.0.7	2-[(4-fluorophenyl)amino]-3-oxidanyl-naphthalene-1,4-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1(c3c(C(C(=C1O)Nc2ccc(cc2)F)=O)cccc3)=O
InChI	InChI	1.03	InChI=1S/C16H10FNO3/c17-9-5-7-10(8-6-9)18-13-14(19)11-3-1-2-4-12(11)15(20)16(13)21/h1-8,18,21H
InChIKey	InChI	1.03	AVGHWZUEYVXFON-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OC1=C(Nc2ccc(F)cc2)C(=O)c3ccccc3C1=O
SMILES	CACTVS	3.385	OC1=C(Nc2ccc(F)cc2)C(=O)c3ccccc3C1=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)C(=O)C(=C(C2=O)O)Nc3ccc(cc3)F
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)C(=O)C(=C(C2=O)O)Nc3ccc(cc3)F

221051

PDB entries from 2024-06-12

PDB statistics

PDBj update info

Contact PDBj

numon