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Summary Geometry Related PDB entries

A1L9Y

Summary

Name:	5-[2-fluoranyl-3-[(2S)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]phenyl]-1H-1,2,3,4-tetrazole
Formula:	C16 H10 F4 N4 O
Formal charge:	0
Formula weight:	350.27 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	5-[2-fluoranyl-3-[(2~{S})-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]phenyl]-1~{H}-1,2,3,4-tetrazole

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C16H10F4N4O/c17-14-10(2-1-3-11(14)15-21-23-24-22-15)13-7-8-6-9(16(18,19)20)4-5-12(8)25-13/h1-6,13H,7H2,(H,21,22,23,24)
InChIKey	InChI	1.06	DNYWMBQGFDLRHS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1c(cccc1c2[nH]nnn2)[C@@H]3Cc4cc(ccc4O3)C(F)(F)F
SMILES	CACTVS	3.385	Fc1c(cccc1c2[nH]nnn2)[CH]3Cc4cc(ccc4O3)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(c(c1)[C@@H]2Cc3cc(ccc3O2)C(F)(F)F)F)c4[nH]nnn4
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(c(c1)C2Cc3cc(ccc3O2)C(F)(F)F)F)c4[nH]nnn4

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