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Chemical ID: 7707556

CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2ccc(c(c2)OC)OC)Oc3ccccc3[N+](=O)[O-]

Chemical ID:

7707556

Name [?]:

None

SMILES [?]:

CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2ccc(c(c2)OC)OC)Oc3ccccc3[N+](=O)[O-]

InChi [?]:

InChI=1/C25H23N3O8/c1-16(35-21-7-5-4-6-20(21)28(31)32)24(29)27-26-15-17-8-11-19(12-9-17)36-25(30)18-10-13-22(33-2)23(14-18)34-3/h4-16H,1-3H3,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,26,24,31,30,32,29,9,13,18,10,12,19,22,7,2,8,17,11,33,28,20,21,3,15,6,5,34,4,16,35,36,25,23,27,14/E:(8,9)(11,12)(31,32)/CRV:28.5/rA:36cCCCONNCCCCCCCOCOCCCCCCOCOCOCCCCCCN+OO-/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s2;s27;s28;d29;s30;d31;d28s32;s33;d34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₃N₃O₈
All Atoms:	59
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	1.07974
Area:	748.322
Solvation:	-17.6283
Coulombic:	-67.8973

Bond Count [?]

All:	38
Single:	25
Double:	13
Rotors:	12
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.03
LogP (Chemaxon):	None

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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