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Chemical ID: 6283151

c1ccc(cc1)c2nnc(o2)NC(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-]

Chemical ID:

6283151

Name [?]:

3,5-dinitro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-benzamide

SMILES [?]:

c1ccc(cc1)c2nnc(o2)NC(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-]

InChi [?]:

InChI=1/C15H9N5O6/c21-13(10-6-11(19(22)23)8-12(7-10)20(24)25)16-15-18-17-14(26-15)9-4-2-1-3-5-9/h1-8H,(H,16,18,21)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,16,20,18,4,15,17,19,13,7,10,12,8,9,24,21,14,25,26,22,23,11/E:(2,3)(4,5)(6,7)(11,12)(19,20)(22,23,24,25)/CRV:19.5,20.5/rA:26nCCCCCCCNNCONCOCCCCCCN+OO-N+OO-/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;d21;s21;s17;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₉N₅O₆
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	-1.5343
Area:	566.665
Solvation:	-15.7009
Coulombic:	-52.144

Bond Count [?]

All:	28
Single:	17
Double:	11
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	355.262
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	3.89
LogP (Chemaxon):	2.78

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value