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Summary Geometry Related PDB entries

38D

Summary

Name:	N'-[(E)-(2,4-dichlorophenyl)methylidene]-3,4-dihydroxybenzohydrazide
Formula:	C14 H10 Cl2 N2 O3
Formal charge:	0
Formula weight:	325.147 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N'-[(E)-(2,4-dichlorophenyl)methylidene]-3,4-dihydroxybenzohydrazide
OpenEye OEToolkits	1.9.2	N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-bis(oxidanyl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc2cc(Cl)ccc2/C=N/NC(=O)c1ccc(O)c(O)c1
InChI	InChI	1.03	InChI=1S/C14H10Cl2N2O3/c15-10-3-1-9(11(16)6-10)7-17-18-14(21)8-2-4-12(19)13(20)5-8/h1-7,19-20H,(H,18,21)/b17-7+
InChIKey	InChI	1.03	ISRFJSGSMHRMSJ-REZTVBANSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1ccc(cc1O)C(=O)N\N=C\c2ccc(Cl)cc2Cl
SMILES	CACTVS	3.385	Oc1ccc(cc1O)C(=O)NN=Cc2ccc(Cl)cc2Cl
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1cc(c(cc1C(=O)N/N=C/c2ccc(cc2Cl)Cl)O)O
SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(cc1C(=O)NN=Cc2ccc(cc2Cl)Cl)O)O

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PDB entries from 2024-09-11

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