ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7703825

c1cc(cc(c1)OC(=O)c2ccc(cc2Cl)Cl)C=NNC(=O)COc3ccc(cc3)[N+](=O)[O-]

Chemical ID:

7703825

Name [?]:

None

SMILES [?]:

c1cc(cc(c1)OC(=O)c2ccc(cc2Cl)Cl)C=NNC(=O)COc3ccc(cc3)[N+](=O)[O-]

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,2,6,12,27,29,26,30,11,4,14,18,23,3,13,28,25,5,10,15,21,8,17,16,19,20,31,22,9,32,33,24,7/E:(5,6)(7,8)(30,31)/CRV:27.5/rA:33nCCCCCCOCOCCCCCCClClCNNCOCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s13;s3;w18;s19;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s28;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	6.04288
Area:	750.482
Solvation:	-12.7192
Coulombic:	-55.7454

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