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Chemical ID: 7704926

c1ccc(c(c1)[N+](=O)[O-])OCC(=O)NN=Cc2cccc(c2)OC(=O)c3ccc(cc3Cl)Cl

Chemical ID:

7704926

Name [?]:

None

SMILES [?]:

c1ccc(c(c1)[N+](=O)[O-])OCC(=O)NN=Cc2cccc(c2)OC(=O)c3ccc(cc3Cl)Cl

InChi [?]:

InChI=1/C22H15Cl2N3O6/c23-15-8-9-17(18(24)11-15)22(29)33-16-5-3-4-14(10-16)12-25-26-21(28)13-32-20-7-2-1-6-19(20)27(30)31/h1-12H,13H2,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,2,19,18,20,6,3,28,27,22,30,16,11,17,29,21,26,31,5,4,12,24,33,32,15,14,7,13,25,8,9,10,23/E:(30,31)/CRV:27.5/rA:33nCCCCCCN+OO-OCCONNCCCCCCCOCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;d24;s24;s26;d27;s28;d29;d26s30;s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₅Cl₂N₃O₆
All Atoms:	48
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	3.40046
Area:	736.004
Solvation:	-14.9996
Coulombic:	-54.3969

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.19
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