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

A1CFB

Summary

Name:	[(1E)-3-(3-chloro-N-hydroxybenzamido)prop-1-en-1-yl]phosphonic acid
Formula:	C10 H11 Cl N O5 P
Formal charge:	0
Formula weight:	291.625 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	[(1E)-3-(3-chloro-N-hydroxybenzamido)prop-1-en-1-yl]phosphonic acid
OpenEye OEToolkits	3.1.0.0	[(~{E})-3-[(3-chlorophenyl)carbonyl-oxidanyl-amino]prop-1-enyl]phosphonic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(c1cc(Cl)ccc1)N(O)C/C=C/P(=O)(O)O
InChI	InChI	1.06	InChI=1S/C10H11ClNO5P/c11-9-4-1-3-8(7-9)10(13)12(14)5-2-6-18(15,16)17/h1-4,6-7,14H,5H2,(H2,15,16,17)/b6-2+
InChIKey	InChI	1.06	LIJACNNYARJOBI-QHHAFSJGSA-N
SMILES_CANONICAL	CACTVS	3.385	ON(C\C=C\[P](O)(O)=O)C(=O)c1cccc(Cl)c1
SMILES	CACTVS	3.385	ON(CC=C[P](O)(O)=O)C(=O)c1cccc(Cl)c1
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	c1cc(cc(c1)Cl)C(=O)N(C/C=C/P(=O)(O)O)O
SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(cc(c1)Cl)C(=O)N(CC=CP(=O)(O)O)O

251422

PDB entries from 2026-04-01

PDB statistics

PDBj update info

Contact PDBj

numon