7KE

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol

Created:	2016-11-04
Last modified:	2017-03-15

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1 entries where 7KE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	11

2D diagram of 7KE

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Chemical Component Summary
Name	3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
Systematic Name (OpenEye OEToolkits)	3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
Formula	C₁₁ H₁₁ Cl N₂ O₂
Molecular Weight	238.67
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OCCCc1onc(n1)c2ccc(Cl)cc2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2nc(on2)CCCO)Cl
Canonical SMILES	CACTVS	3.385	OCCCc1onc(n1)c2ccc(Cl)cc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2nc(on2)CCCO)Cl
InChI	InChI	1.03	InChI=1S/C11H11ClN2O2/c12-9-5-3-8(4-6-9)11-13-10(16-14-11)2-1-7-15/h3-6,15H,1-2,7H2
InChIKey	InChI	1.03	BTURSBZSHDJVMU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	79200268
ChEMBL	CHEMBL4062236

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