EPN

3-(4-NITRO-PHENOXY)-PROPAN-1-OL

Created:	1999-07-08
Last modified:	2024-09-27

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1 entries where EPN is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	6

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Chemical Component Summary
Name	3-(4-NITRO-PHENOXY)-PROPAN-1-OL
Systematic Name (OpenEye OEToolkits)	3-(4-nitrophenoxy)propan-1-ol
Formula	C₉ H₁₁ N O₄
Molecular Weight	197.188
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-][N+](=O)c1ccc(OCCCO)cc1
SMILES	CACTVS	3.341	OCCCOc1ccc(cc1)[N+]([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1[N+](=O)[O-])OCCCO
Canonical SMILES	CACTVS	3.341	OCCCOc1ccc(cc1)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1[N+](=O)[O-])OCCCO
InChI	InChI	1.03	InChI=1S/C9H11NO4/c11-6-1-7-14-9-4-2-8(3-5-9)10(12)13/h2-5,11H,1,6-7H2
InChIKey	InChI	1.03	XHRNQMMJGWBTBU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07722
Name	3-(4-NITRO-PHENOXY)-PROPAN-1-OL
Groups	experimental
Synonyms	3-(4-NITRO-PHENOXY)-PROPAN-1-OL

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Pol polyprotein	VLELWERGTLCKAMQSPKKTGMLEMWKNGPCYGQMPRQTGGFFRPWSMGK...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682