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

4OD

Summary

Name:	N'-(3-bromophenyl)-4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
Formula:	C14 H9 Br F4 N2 O
Formal charge:	0
Formula weight:	377.132 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N'-(3-bromophenyl)-4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
OpenEye OEToolkits	1.9.2	N'-(3-bromophenyl)-4-fluoranyl-N-oxidanyl-3-(trifluoromethyl)benzenecarboximidamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(c1c(ccc(c1)/C(NO)=N\c2cc(Br)ccc2)F)(F)F
InChI	InChI	1.03	InChI=1S/C14H9BrF4N2O/c15-9-2-1-3-10(7-9)20-13(21-22)8-4-5-12(16)11(6-8)14(17,18)19/h1-7,22H,(H,20,21)
InChIKey	InChI	1.03	HYMULNGSTZFRLI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	ONC(=Nc1cccc(Br)c1)c2ccc(F)c(c2)C(F)(F)F
SMILES	CACTVS	3.385	ONC(=Nc1cccc(Br)c1)c2ccc(F)c(c2)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1cc(cc(c1)Br)/N=C(\c2ccc(c(c2)C(F)(F)F)F)/NO
SMILES	OpenEye OEToolkits	1.9.2	c1cc(cc(c1)Br)N=C(c2ccc(c(c2)C(F)(F)F)F)NO

219869

PDB entries from 2024-05-15

PDB statistics

PDBj update info

Contact PDBj

numon