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Chemical ID: 7705501

c1ccc2c(c1)ccc(c2C=NNC(=O)COc3ccc(cc3)[N+](=O)[O-])OC(=O)c4ccc(cc4)Cl

Chemical ID:

7705501

Name [?]:

None

SMILES [?]:

c1ccc2c(c1)ccc(c2C=NNC(=O)COc3ccc(cc3)[N+](=O)[O-])OC(=O)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C26H18ClN3O6/c27-19-8-5-18(6-9-19)26(32)36-24-14-7-17-3-1-2-4-22(17)23(24)15-28-29-25(31)16-35-21-12-10-20(11-13-21)30(33)34/h1-15H,16H2,(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,31,35,7,32,34,20,22,19,23,8,11,16,5,30,33,21,18,4,10,9,14,28,36,12,13,24,15,29,25,26,17,27/E:(5,6)(8,9)(10,11)(12,13)(33,34)/CRV:30.5/rA:36nCCCCCCCCCCCNNCOCOCCCCCCN+OO-OCOCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;s9;s27;d28;s28;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₁₈ClN₃O₆
All Atoms:	54
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	5.71329
Area:	727.198
Solvation:	-12.4667
Coulombic:	-57.0835

Bond Count [?]

All:	39
Single:	24
Double:	15
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.83
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

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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